USER MOD reduce.3.24.130724 H: found=0, std=0, add=1184, rem=0, adj=41 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= -1.72 F(o=-2.7!,f=-1.9) USER MOD Set 1.2: A 157 ASN :FLIP amide:sc= -0.219 F(o=-3.2,f=-1.9) USER MOD Set 2.1: A 5 ASN :FLIP amide:sc= -5.72! C(o=-5.6!,f=-5.5!) USER MOD Set 2.2: A 135 ASN :FLIP amide:sc= 0.199 F(o=-7.4,f=-5.5) USER MOD Set 3.1: A 16 LYS NZ :NH3+ -126:sc= 0.679 (180deg=0.661) USER MOD Set 3.2: A 19 GLN : amide:sc= 0.427 K(o=1.1,f=-0.83) USER MOD Single : A 3 GLN : amide:sc= -0.117 K(o=-0.12,f=-0.86) USER MOD Single : A 4 SER OG : rot 175:sc= 1.29 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 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 170:sc= 0 USER MOD Single : A 25 SER OG : rot -5:sc= 0.955 USER MOD Single : A 26 GLN :FLIP amide:sc= -0.0131 F(o=-1.1,f=-0.013) USER MOD Single : A 28 SER OG : rot 156:sc= 0.987 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 124:sc= 0.7 USER MOD Single : A 47 LYS NZ :NH3+ -150:sc= -1! (180deg=-3.03!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 21:sc= 0.185 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN :FLIP amide:sc= -6.27! C(o=-7.8!,f=-6.3!) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=-0.088) USER MOD Single : A 75 THR OG1 : rot 180:sc= -4.09! USER MOD Single : A 78 THR OG1 : rot 180:sc= 6.3e-05 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -0.797 X(o=-0.8,f=-0.84) USER MOD Single : A 82 SER OG : rot -121:sc= 1.07 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 88 ASN :FLIP amide:sc= -0.303 F(o=-1.1,f=-0.3) USER MOD Single : A 96 ASN :FLIP amide:sc= -0.501 F(o=-6.2!,f=-0.5) USER MOD Single : A 105 SER OG : rot 73:sc= -0.0962 USER MOD Single : A 111 CYS SG : rot 165:sc= -14.9! USER MOD Single : A 114 SER OG : rot 71:sc= 0.953 USER MOD Single : A 117 LYS NZ :NH3+ 159:sc= 0.732 (180deg=0.205) USER MOD Single : A 119 MET CE :methyl -151:sc= -4.21! (180deg=-8.04!) USER MOD Single : A 120 GLN : amide:sc= -2.03! X(o=-2!,f=-1.6) USER MOD Single : A 124 SER OG : rot -120:sc= 0.0716 USER MOD Single : A 130 MET CE :methyl -128:sc= -4.19! (180deg=-8.09!) USER MOD Single : A 132 THR OG1 : rot 66:sc= 1.27 USER MOD Single : A 133 TYR OH : rot -23:sc= 0.214 USER MOD Single : A 137 HIS : no HD1:sc= 0 X(o=0,f=-0.0052) USER MOD Single : A 143 GLN : amide:sc= -0.0288 K(o=-0.029,f=-0.68) USER MOD Single : A 145 ASN :FLIP amide:sc= -0.557 F(o=-5.1!,f=-0.56) USER MOD Single : A 150 THR OG1 : rot 180:sc= 0 USER MOD Single : A 155 TYR OH : rot 180:sc= 0 USER MOD Single : B1014 CYS SG : rot 81:sc= 0.0702 USER MOD ----------------------------------------------------------------- ATOM 31 N GLN A 3 -0.165 10.226 11.874 1.00 0.73 N ATOM 32 CA GLN A 3 -1.005 10.534 10.718 1.00 0.73 C ATOM 33 C GLN A 3 -0.274 10.401 9.384 1.00 0.61 C ATOM 34 O GLN A 3 -0.855 10.663 8.336 1.00 0.64 O ATOM 35 CB GLN A 3 -1.603 11.931 10.851 1.00 0.83 C ATOM 36 CG GLN A 3 -2.739 11.988 11.852 1.00 1.13 C ATOM 37 CD GLN A 3 -3.941 11.175 11.412 1.00 1.76 C ATOM 38 OE1 GLN A 3 -4.212 11.032 10.219 1.00 2.42 O ATOM 39 NE2 GLN A 3 -4.669 10.631 12.370 1.00 2.22 N ATOM 0 HA GLN A 3 -1.801 9.790 10.713 1.00 0.73 H new ATOM 0 HB2 GLN A 3 -0.822 12.629 11.154 1.00 0.83 H new ATOM 0 HB3 GLN A 3 -1.965 12.261 9.877 1.00 0.83 H new ATOM 0 HG2 GLN A 3 -2.388 11.620 12.816 1.00 1.13 H new ATOM 0 HG3 GLN A 3 -3.039 13.026 11.997 1.00 1.13 H new ATOM 0 HE21 GLN A 3 -4.413 10.772 13.347 1.00 2.22 H new ATOM 0 HE22 GLN A 3 -5.487 10.070 12.133 1.00 2.22 H new ATOM 48 N SER A 4 0.985 9.991 9.408 1.00 0.55 N ATOM 49 CA SER A 4 1.727 9.781 8.172 1.00 0.52 C ATOM 50 C SER A 4 1.170 8.576 7.406 1.00 0.45 C ATOM 51 O SER A 4 1.391 8.429 6.202 1.00 0.46 O ATOM 52 CB SER A 4 3.216 9.598 8.473 1.00 0.61 C ATOM 53 OG SER A 4 3.422 8.591 9.455 1.00 1.25 O ATOM 0 H SER A 4 1.511 9.798 10.260 1.00 0.55 H new ATOM 0 HA SER A 4 1.611 10.662 7.541 1.00 0.52 H new ATOM 0 HB2 SER A 4 3.745 9.331 7.558 1.00 0.61 H new ATOM 0 HB3 SER A 4 3.638 10.541 8.821 1.00 0.61 H new ATOM 0 HG SER A 4 4.383 8.442 9.574 1.00 1.25 H new ATOM 59 N ASN A 5 0.422 7.728 8.113 1.00 0.43 N ATOM 60 CA ASN A 5 -0.240 6.578 7.496 1.00 0.39 C ATOM 61 C ASN A 5 -1.364 7.025 6.571 1.00 0.35 C ATOM 62 O ASN A 5 -1.793 6.274 5.693 1.00 0.35 O ATOM 63 CB ASN A 5 -0.796 5.621 8.553 1.00 0.40 C ATOM 64 CG ASN A 5 -1.577 6.305 9.649 1.00 0.80 C ATOM 65 OD1 ASN A 5 -1.541 5.720 10.838 1.00 1.78 O flip ATOM 66 ND2 ASN A 5 -2.199 7.345 9.441 1.00 0.53 N flip ATOM 0 H ASN A 5 0.259 7.816 9.116 1.00 0.43 H new ATOM 0 HA ASN A 5 0.513 6.051 6.910 1.00 0.39 H new ATOM 0 HB2 ASN A 5 -1.440 4.890 8.064 1.00 0.40 H new ATOM 0 HB3 ASN A 5 0.031 5.069 9.000 1.00 0.40 H new ATOM 0 HD21 ASN A 5 -2.200 7.761 8.510 1.00 0.53 H new ATOM 0 HD22 ASN A 5 -2.714 7.791 10.200 1.00 0.53 H new ATOM 73 N ARG A 6 -1.839 8.245 6.787 1.00 0.35 N ATOM 74 CA ARG A 6 -2.853 8.850 5.935 1.00 0.34 C ATOM 75 C ARG A 6 -2.433 8.774 4.484 1.00 0.31 C ATOM 76 O ARG A 6 -3.172 8.292 3.632 1.00 0.30 O ATOM 77 CB ARG A 6 -3.040 10.314 6.316 1.00 0.41 C ATOM 78 CG ARG A 6 -4.425 10.650 6.813 1.00 0.59 C ATOM 79 CD ARG A 6 -5.489 10.232 5.816 1.00 0.41 C ATOM 80 NE ARG A 6 -6.689 11.052 5.960 1.00 0.68 N ATOM 81 CZ ARG A 6 -7.788 10.685 6.615 1.00 0.69 C ATOM 82 NH1 ARG A 6 -7.844 9.516 7.243 1.00 1.40 N ATOM 83 NH2 ARG A 6 -8.822 11.515 6.674 1.00 0.93 N ATOM 0 H ARG A 6 -1.533 8.841 7.556 1.00 0.35 H new ATOM 0 HA ARG A 6 -3.788 8.307 6.071 1.00 0.34 H new ATOM 0 HB2 ARG A 6 -2.316 10.572 7.089 1.00 0.41 H new ATOM 0 HB3 ARG A 6 -2.816 10.935 5.449 1.00 0.41 H new ATOM 0 HG2 ARG A 6 -4.602 10.151 7.766 1.00 0.59 H new ATOM 0 HG3 ARG A 6 -4.497 11.722 6.996 1.00 0.59 H new ATOM 0 HD2 ARG A 6 -5.100 10.325 4.802 1.00 0.41 H new ATOM 0 HD3 ARG A 6 -5.741 9.182 5.966 1.00 0.41 H new ATOM 0 HE ARG A 6 -6.684 11.975 5.526 1.00 0.68 H new ATOM 0 HH11 ARG A 6 -7.040 8.889 7.226 1.00 1.40 H new ATOM 0 HH12 ARG A 6 -8.691 9.245 7.742 1.00 1.40 H new ATOM 0 HH21 ARG A 6 -8.771 12.427 6.219 1.00 0.93 H new ATOM 0 HH22 ARG A 6 -9.668 11.241 7.174 1.00 0.93 H new ATOM 97 N GLU A 7 -1.226 9.236 4.232 1.00 0.30 N ATOM 98 CA GLU A 7 -0.679 9.311 2.893 1.00 0.29 C ATOM 99 C GLU A 7 -0.624 7.946 2.240 1.00 0.25 C ATOM 100 O GLU A 7 -1.025 7.781 1.092 1.00 0.26 O ATOM 101 CB GLU A 7 0.719 9.875 2.979 1.00 0.31 C ATOM 102 CG GLU A 7 0.775 11.218 3.660 1.00 0.40 C ATOM 103 CD GLU A 7 2.186 11.647 3.917 1.00 0.51 C ATOM 104 OE1 GLU A 7 2.975 11.752 2.963 1.00 0.68 O ATOM 105 OE2 GLU A 7 2.494 11.935 5.083 1.00 0.53 O ATOM 0 H GLU A 7 -0.592 9.573 4.956 1.00 0.30 H new ATOM 0 HA GLU A 7 -1.322 9.949 2.287 1.00 0.29 H new ATOM 0 HB2 GLU A 7 1.354 9.174 3.520 1.00 0.31 H new ATOM 0 HB3 GLU A 7 1.129 9.967 1.973 1.00 0.31 H new ATOM 0 HG2 GLU A 7 0.275 11.962 3.040 1.00 0.40 H new ATOM 0 HG3 GLU A 7 0.231 11.171 4.603 1.00 0.40 H new ATOM 112 N LEU A 8 -0.096 6.983 2.979 1.00 0.26 N ATOM 113 CA LEU A 8 -0.020 5.606 2.553 1.00 0.27 C ATOM 114 C LEU A 8 -1.373 5.114 2.038 1.00 0.28 C ATOM 115 O LEU A 8 -1.435 4.322 1.100 1.00 0.40 O ATOM 116 CB LEU A 8 0.455 4.773 3.739 1.00 0.34 C ATOM 117 CG LEU A 8 1.951 4.879 4.087 1.00 0.41 C ATOM 118 CD1 LEU A 8 2.530 6.289 3.908 1.00 1.00 C ATOM 119 CD2 LEU A 8 2.186 4.402 5.508 1.00 1.16 C ATOM 0 H LEU A 8 0.297 7.145 3.906 1.00 0.26 H new ATOM 0 HA LEU A 8 0.684 5.509 1.726 1.00 0.27 H new ATOM 0 HB2 LEU A 8 -0.123 5.065 4.616 1.00 0.34 H new ATOM 0 HB3 LEU A 8 0.223 3.727 3.538 1.00 0.34 H new ATOM 0 HG LEU A 8 2.476 4.239 3.378 1.00 0.41 H new ATOM 0 HD11 LEU A 8 3.587 6.284 4.172 1.00 1.00 H new ATOM 0 HD12 LEU A 8 2.417 6.600 2.869 1.00 1.00 H new ATOM 0 HD13 LEU A 8 1.997 6.986 4.555 1.00 1.00 H new ATOM 0 HD21 LEU A 8 3.247 4.480 5.747 1.00 1.16 H new ATOM 0 HD22 LEU A 8 1.612 5.020 6.199 1.00 1.16 H new ATOM 0 HD23 LEU A 8 1.869 3.363 5.600 1.00 1.16 H new ATOM 131 N VAL A 9 -2.448 5.603 2.645 1.00 0.23 N ATOM 132 CA VAL A 9 -3.791 5.300 2.182 1.00 0.23 C ATOM 133 C VAL A 9 -4.133 6.168 0.983 1.00 0.23 C ATOM 134 O VAL A 9 -4.355 5.678 -0.122 1.00 0.24 O ATOM 135 CB VAL A 9 -4.821 5.568 3.295 1.00 0.25 C ATOM 136 CG1 VAL A 9 -6.240 5.400 2.778 1.00 0.26 C ATOM 137 CG2 VAL A 9 -4.571 4.657 4.478 1.00 0.27 C ATOM 0 H VAL A 9 -2.412 6.213 3.462 1.00 0.23 H new ATOM 0 HA VAL A 9 -3.825 4.247 1.903 1.00 0.23 H new ATOM 0 HB VAL A 9 -4.705 6.601 3.623 1.00 0.25 H new ATOM 0 HG11 VAL A 9 -6.947 5.595 3.585 1.00 0.26 H new ATOM 0 HG12 VAL A 9 -6.416 6.103 1.963 1.00 0.26 H new ATOM 0 HG13 VAL A 9 -6.377 4.382 2.414 1.00 0.26 H new ATOM 0 HG21 VAL A 9 -5.308 4.860 5.255 1.00 0.27 H new ATOM 0 HG22 VAL A 9 -4.655 3.618 4.161 1.00 0.27 H new ATOM 0 HG23 VAL A 9 -3.570 4.837 4.871 1.00 0.27 H new ATOM 147 N VAL A 10 -4.161 7.464 1.236 1.00 0.23 N ATOM 148 CA VAL A 10 -4.574 8.461 0.261 1.00 0.25 C ATOM 149 C VAL A 10 -3.858 8.310 -1.077 1.00 0.25 C ATOM 150 O VAL A 10 -4.509 8.167 -2.115 1.00 0.27 O ATOM 151 CB VAL A 10 -4.320 9.863 0.825 1.00 0.28 C ATOM 152 CG1 VAL A 10 -4.693 10.928 -0.176 1.00 0.33 C ATOM 153 CG2 VAL A 10 -5.096 10.039 2.111 1.00 0.32 C ATOM 0 H VAL A 10 -3.894 7.861 2.137 1.00 0.23 H new ATOM 0 HA VAL A 10 -5.637 8.310 0.075 1.00 0.25 H new ATOM 0 HB VAL A 10 -3.255 9.969 1.033 1.00 0.28 H new ATOM 0 HG11 VAL A 10 -4.502 11.912 0.252 1.00 0.33 H new ATOM 0 HG12 VAL A 10 -4.096 10.803 -1.080 1.00 0.33 H new ATOM 0 HG13 VAL A 10 -5.751 10.839 -0.425 1.00 0.33 H new ATOM 0 HG21 VAL A 10 -4.915 11.036 2.512 1.00 0.32 H new ATOM 0 HG22 VAL A 10 -6.161 9.915 1.913 1.00 0.32 H new ATOM 0 HG23 VAL A 10 -4.772 9.292 2.836 1.00 0.32 H new ATOM 163 N ASP A 11 -2.529 8.344 -1.051 1.00 0.26 N ATOM 164 CA ASP A 11 -1.737 8.263 -2.272 1.00 0.28 C ATOM 165 C ASP A 11 -2.051 6.981 -3.025 1.00 0.31 C ATOM 166 O ASP A 11 -2.052 6.959 -4.257 1.00 0.35 O ATOM 167 CB ASP A 11 -0.239 8.328 -1.960 1.00 0.32 C ATOM 168 CG ASP A 11 0.610 8.365 -3.218 1.00 0.39 C ATOM 169 OD1 ASP A 11 0.700 9.445 -3.843 1.00 0.59 O ATOM 170 OD2 ASP A 11 1.190 7.323 -3.590 1.00 0.49 O ATOM 0 H ASP A 11 -1.978 8.427 -0.196 1.00 0.26 H new ATOM 0 HA ASP A 11 -1.998 9.117 -2.897 1.00 0.28 H new ATOM 0 HB2 ASP A 11 -0.033 9.214 -1.359 1.00 0.32 H new ATOM 0 HB3 ASP A 11 0.043 7.463 -1.359 1.00 0.32 H new ATOM 175 N PHE A 12 -2.357 5.923 -2.283 1.00 0.32 N ATOM 176 CA PHE A 12 -2.646 4.641 -2.892 1.00 0.38 C ATOM 177 C PHE A 12 -4.034 4.645 -3.527 1.00 0.34 C ATOM 178 O PHE A 12 -4.191 4.203 -4.664 1.00 0.39 O ATOM 179 CB PHE A 12 -2.532 3.500 -1.878 1.00 0.46 C ATOM 180 CG PHE A 12 -2.255 2.168 -2.520 1.00 0.76 C ATOM 181 CD1 PHE A 12 -3.230 1.516 -3.259 1.00 0.98 C ATOM 182 CD2 PHE A 12 -1.012 1.572 -2.388 1.00 1.24 C ATOM 183 CE1 PHE A 12 -2.969 0.299 -3.855 1.00 1.38 C ATOM 184 CE2 PHE A 12 -0.746 0.353 -2.981 1.00 1.61 C ATOM 185 CZ PHE A 12 -1.726 -0.283 -3.716 1.00 1.61 C ATOM 0 H PHE A 12 -2.410 5.932 -1.264 1.00 0.32 H new ATOM 0 HA PHE A 12 -1.903 4.475 -3.672 1.00 0.38 H new ATOM 0 HB2 PHE A 12 -1.735 3.729 -1.170 1.00 0.46 H new ATOM 0 HB3 PHE A 12 -3.458 3.436 -1.306 1.00 0.46 H new ATOM 0 HD1 PHE A 12 -4.206 1.966 -3.370 1.00 0.98 H new ATOM 0 HD2 PHE A 12 -0.241 2.066 -1.815 1.00 1.24 H new ATOM 0 HE1 PHE A 12 -3.737 -0.197 -4.430 1.00 1.38 H new ATOM 0 HE2 PHE A 12 0.227 -0.102 -2.870 1.00 1.61 H new ATOM 0 HZ PHE A 12 -1.520 -1.235 -4.182 1.00 1.61 H new ATOM 195 N LEU A 13 -5.043 5.149 -2.811 1.00 0.28 N ATOM 196 CA LEU A 13 -6.383 5.214 -3.381 1.00 0.28 C ATOM 197 C LEU A 13 -6.392 6.126 -4.601 1.00 0.30 C ATOM 198 O LEU A 13 -7.004 5.807 -5.619 1.00 0.34 O ATOM 199 CB LEU A 13 -7.429 5.671 -2.355 1.00 0.25 C ATOM 200 CG LEU A 13 -7.979 4.558 -1.455 1.00 0.26 C ATOM 201 CD1 LEU A 13 -7.106 4.344 -0.246 1.00 0.26 C ATOM 202 CD2 LEU A 13 -9.407 4.851 -1.032 1.00 0.27 C ATOM 0 H LEU A 13 -4.958 5.508 -1.860 1.00 0.28 H new ATOM 0 HA LEU A 13 -6.658 4.205 -3.687 1.00 0.28 H new ATOM 0 HB2 LEU A 13 -6.986 6.442 -1.725 1.00 0.25 H new ATOM 0 HB3 LEU A 13 -8.261 6.133 -2.887 1.00 0.25 H new ATOM 0 HG LEU A 13 -7.976 3.638 -2.040 1.00 0.26 H new ATOM 0 HD11 LEU A 13 -7.526 3.548 0.370 1.00 0.26 H new ATOM 0 HD12 LEU A 13 -6.103 4.064 -0.567 1.00 0.26 H new ATOM 0 HD13 LEU A 13 -7.057 5.265 0.335 1.00 0.26 H new ATOM 0 HD21 LEU A 13 -9.770 4.045 -0.395 1.00 0.27 H new ATOM 0 HD22 LEU A 13 -9.438 5.791 -0.481 1.00 0.27 H new ATOM 0 HD23 LEU A 13 -10.040 4.928 -1.916 1.00 0.27 H new ATOM 214 N SER A 14 -5.678 7.243 -4.505 1.00 0.29 N ATOM 215 CA SER A 14 -5.536 8.159 -5.631 1.00 0.33 C ATOM 216 C SER A 14 -4.855 7.450 -6.801 1.00 0.37 C ATOM 217 O SER A 14 -5.253 7.601 -7.957 1.00 0.42 O ATOM 218 CB SER A 14 -4.726 9.390 -5.210 1.00 0.33 C ATOM 219 OG SER A 14 -4.649 10.341 -6.259 1.00 1.05 O ATOM 0 H SER A 14 -5.189 7.536 -3.659 1.00 0.29 H new ATOM 0 HA SER A 14 -6.526 8.485 -5.949 1.00 0.33 H new ATOM 0 HB2 SER A 14 -5.186 9.848 -4.334 1.00 0.33 H new ATOM 0 HB3 SER A 14 -3.721 9.084 -4.919 1.00 0.33 H new ATOM 0 HG SER A 14 -4.128 11.116 -5.961 1.00 1.05 H new ATOM 225 N TYR A 15 -3.848 6.647 -6.476 1.00 0.37 N ATOM 226 CA TYR A 15 -3.095 5.882 -7.468 1.00 0.45 C ATOM 227 C TYR A 15 -3.999 4.871 -8.179 1.00 0.43 C ATOM 228 O TYR A 15 -3.710 4.444 -9.295 1.00 0.55 O ATOM 229 CB TYR A 15 -1.929 5.172 -6.766 1.00 0.52 C ATOM 230 CG TYR A 15 -0.987 4.410 -7.674 1.00 0.67 C ATOM 231 CD1 TYR A 15 -0.026 5.072 -8.427 1.00 0.72 C ATOM 232 CD2 TYR A 15 -1.045 3.025 -7.755 1.00 0.89 C ATOM 233 CE1 TYR A 15 0.847 4.373 -9.241 1.00 0.89 C ATOM 234 CE2 TYR A 15 -0.174 2.320 -8.562 1.00 1.06 C ATOM 235 CZ TYR A 15 0.769 2.996 -9.303 1.00 1.03 C ATOM 236 OH TYR A 15 1.641 2.292 -10.103 1.00 1.22 O ATOM 0 H TYR A 15 -3.529 6.507 -5.517 1.00 0.37 H new ATOM 0 HA TYR A 15 -2.704 6.559 -8.227 1.00 0.45 H new ATOM 0 HB2 TYR A 15 -1.353 5.915 -6.215 1.00 0.52 H new ATOM 0 HB3 TYR A 15 -2.338 4.478 -6.032 1.00 0.52 H new ATOM 0 HD1 TYR A 15 0.041 6.149 -8.376 1.00 0.72 H new ATOM 0 HD2 TYR A 15 -1.784 2.490 -7.177 1.00 0.89 H new ATOM 0 HE1 TYR A 15 1.586 4.902 -9.825 1.00 0.89 H new ATOM 0 HE2 TYR A 15 -0.232 1.243 -8.612 1.00 1.06 H new ATOM 0 HH TYR A 15 1.451 1.333 -10.030 1.00 1.22 H new ATOM 246 N LYS A 16 -5.108 4.512 -7.538 1.00 0.33 N ATOM 247 CA LYS A 16 -6.036 3.543 -8.103 1.00 0.33 C ATOM 248 C LYS A 16 -7.018 4.232 -9.010 1.00 0.33 C ATOM 249 O LYS A 16 -7.320 3.765 -10.093 1.00 0.42 O ATOM 250 CB LYS A 16 -6.784 2.814 -6.991 1.00 0.34 C ATOM 251 CG LYS A 16 -5.896 1.953 -6.107 1.00 0.61 C ATOM 252 CD LYS A 16 -5.247 0.818 -6.883 1.00 0.57 C ATOM 253 CE LYS A 16 -3.946 1.246 -7.546 1.00 1.18 C ATOM 254 NZ LYS A 16 -3.187 0.089 -8.083 1.00 1.41 N ATOM 0 H LYS A 16 -5.384 4.879 -6.627 1.00 0.33 H new ATOM 0 HA LYS A 16 -5.466 2.816 -8.682 1.00 0.33 H new ATOM 0 HB2 LYS A 16 -7.295 3.549 -6.369 1.00 0.34 H new ATOM 0 HB3 LYS A 16 -7.554 2.185 -7.438 1.00 0.34 H new ATOM 0 HG2 LYS A 16 -5.121 2.574 -5.657 1.00 0.61 H new ATOM 0 HG3 LYS A 16 -6.488 1.541 -5.290 1.00 0.61 H new ATOM 0 HD2 LYS A 16 -5.052 -0.016 -6.209 1.00 0.57 H new ATOM 0 HD3 LYS A 16 -5.939 0.458 -7.644 1.00 0.57 H new ATOM 0 HE2 LYS A 16 -4.164 1.943 -8.355 1.00 1.18 H new ATOM 0 HE3 LYS A 16 -3.329 1.780 -6.823 1.00 1.18 H new ATOM 0 HZ1 LYS A 16 -2.220 0.101 -7.702 1.00 1.41 H new ATOM 0 HZ2 LYS A 16 -3.658 -0.795 -7.804 1.00 1.41 H new ATOM 0 HZ3 LYS A 16 -3.151 0.149 -9.121 1.00 1.41 H new ATOM 268 N LEU A 17 -7.506 5.344 -8.548 1.00 0.33 N ATOM 269 CA LEU A 17 -8.434 6.153 -9.310 1.00 0.32 C ATOM 270 C LEU A 17 -7.752 6.740 -10.541 1.00 0.35 C ATOM 271 O LEU A 17 -8.378 6.929 -11.585 1.00 0.36 O ATOM 272 CB LEU A 17 -8.968 7.224 -8.384 1.00 0.35 C ATOM 273 CG LEU A 17 -9.535 6.625 -7.105 1.00 0.53 C ATOM 274 CD1 LEU A 17 -9.622 7.646 -5.997 1.00 1.35 C ATOM 275 CD2 LEU A 17 -10.878 5.990 -7.385 1.00 1.15 C ATOM 0 H LEU A 17 -7.276 5.724 -7.630 1.00 0.33 H new ATOM 0 HA LEU A 17 -9.263 5.551 -9.683 1.00 0.32 H new ATOM 0 HB2 LEU A 17 -8.169 7.923 -8.136 1.00 0.35 H new ATOM 0 HB3 LEU A 17 -9.744 7.794 -8.895 1.00 0.35 H new ATOM 0 HG LEU A 17 -8.852 5.850 -6.758 1.00 0.53 H new ATOM 0 HD11 LEU A 17 -10.032 7.178 -5.102 1.00 1.35 H new ATOM 0 HD12 LEU A 17 -8.627 8.034 -5.780 1.00 1.35 H new ATOM 0 HD13 LEU A 17 -10.271 8.465 -6.307 1.00 1.35 H new ATOM 0 HD21 LEU A 17 -11.278 5.563 -6.465 1.00 1.15 H new ATOM 0 HD22 LEU A 17 -11.566 6.746 -7.763 1.00 1.15 H new ATOM 0 HD23 LEU A 17 -10.760 5.202 -8.129 1.00 1.15 H new ATOM 287 N SER A 18 -6.455 6.990 -10.412 1.00 0.41 N ATOM 288 CA SER A 18 -5.635 7.486 -11.513 1.00 0.48 C ATOM 289 C SER A 18 -5.705 6.556 -12.732 1.00 0.51 C ATOM 290 O SER A 18 -5.850 7.023 -13.860 1.00 0.58 O ATOM 291 CB SER A 18 -4.182 7.645 -11.051 1.00 0.57 C ATOM 292 OG SER A 18 -3.370 8.209 -12.069 1.00 0.94 O ATOM 0 H SER A 18 -5.941 6.855 -9.542 1.00 0.41 H new ATOM 0 HA SER A 18 -6.028 8.457 -11.815 1.00 0.48 H new ATOM 0 HB2 SER A 18 -4.148 8.279 -10.165 1.00 0.57 H new ATOM 0 HB3 SER A 18 -3.783 6.673 -10.763 1.00 0.57 H new ATOM 0 HG SER A 18 -2.450 8.298 -11.742 1.00 0.94 H new ATOM 298 N GLN A 19 -5.629 5.247 -12.495 1.00 0.52 N ATOM 299 CA GLN A 19 -5.628 4.256 -13.580 1.00 0.57 C ATOM 300 C GLN A 19 -7.030 3.977 -14.102 1.00 0.51 C ATOM 301 O GLN A 19 -7.222 3.159 -15.004 1.00 0.59 O ATOM 302 CB GLN A 19 -4.965 2.961 -13.114 1.00 0.68 C ATOM 303 CG GLN A 19 -5.318 2.600 -11.691 1.00 0.84 C ATOM 304 CD GLN A 19 -4.708 1.300 -11.232 1.00 0.97 C ATOM 305 OE1 GLN A 19 -3.573 1.266 -10.754 1.00 1.37 O ATOM 306 NE2 GLN A 19 -5.469 0.226 -11.329 1.00 1.19 N ATOM 0 H GLN A 19 -5.567 4.844 -11.560 1.00 0.52 H new ATOM 0 HA GLN A 19 -5.053 4.676 -14.405 1.00 0.57 H new ATOM 0 HB2 GLN A 19 -5.264 2.147 -13.775 1.00 0.68 H new ATOM 0 HB3 GLN A 19 -3.883 3.061 -13.201 1.00 0.68 H new ATOM 0 HG2 GLN A 19 -4.988 3.401 -11.029 1.00 0.84 H new ATOM 0 HG3 GLN A 19 -6.402 2.536 -11.599 1.00 0.84 H new ATOM 0 HE21 GLN A 19 -6.403 0.298 -11.731 1.00 1.19 H new ATOM 0 HE22 GLN A 19 -5.123 -0.676 -11.001 1.00 1.19 H new ATOM 315 N LYS A 20 -8.001 4.661 -13.533 1.00 0.45 N ATOM 316 CA LYS A 20 -9.385 4.540 -13.966 1.00 0.49 C ATOM 317 C LYS A 20 -9.781 5.805 -14.687 1.00 0.48 C ATOM 318 O LYS A 20 -10.666 5.821 -15.542 1.00 0.53 O ATOM 319 CB LYS A 20 -10.286 4.325 -12.758 1.00 0.57 C ATOM 320 CG LYS A 20 -9.650 3.453 -11.706 1.00 0.49 C ATOM 321 CD LYS A 20 -9.386 2.054 -12.218 1.00 1.20 C ATOM 322 CE LYS A 20 -10.671 1.415 -12.719 1.00 1.75 C ATOM 323 NZ LYS A 20 -10.506 -0.029 -13.035 1.00 2.20 N ATOM 0 H LYS A 20 -7.859 5.313 -12.762 1.00 0.45 H new ATOM 0 HA LYS A 20 -9.491 3.687 -14.636 1.00 0.49 H new ATOM 0 HB2 LYS A 20 -10.537 5.291 -12.320 1.00 0.57 H new ATOM 0 HB3 LYS A 20 -11.222 3.870 -13.084 1.00 0.57 H new ATOM 0 HG2 LYS A 20 -8.713 3.903 -11.379 1.00 0.49 H new ATOM 0 HG3 LYS A 20 -10.301 3.403 -10.833 1.00 0.49 H new ATOM 0 HD2 LYS A 20 -8.653 2.088 -13.024 1.00 1.20 H new ATOM 0 HD3 LYS A 20 -8.957 1.445 -11.422 1.00 1.20 H new ATOM 0 HE2 LYS A 20 -11.449 1.531 -11.964 1.00 1.75 H new ATOM 0 HE3 LYS A 20 -11.011 1.942 -13.611 1.00 1.75 H new ATOM 0 HZ1 LYS A 20 -11.410 -0.416 -13.372 1.00 2.20 H new ATOM 0 HZ2 LYS A 20 -9.784 -0.142 -13.775 1.00 2.20 H new ATOM 0 HZ3 LYS A 20 -10.208 -0.540 -12.179 1.00 2.20 H new ATOM 337 N GLY A 21 -9.098 6.861 -14.311 1.00 0.45 N ATOM 338 CA GLY A 21 -9.305 8.153 -14.916 1.00 0.49 C ATOM 339 C GLY A 21 -10.143 9.045 -14.038 1.00 0.47 C ATOM 340 O GLY A 21 -10.759 10.001 -14.507 1.00 0.53 O ATOM 0 H GLY A 21 -8.387 6.848 -13.580 1.00 0.45 H new ATOM 0 HA2 GLY A 21 -8.341 8.627 -15.104 1.00 0.49 H new ATOM 0 HA3 GLY A 21 -9.793 8.029 -15.883 1.00 0.49 H new ATOM 344 N TYR A 22 -10.157 8.731 -12.753 1.00 0.40 N ATOM 345 CA TYR A 22 -10.921 9.496 -11.788 1.00 0.37 C ATOM 346 C TYR A 22 -10.001 10.219 -10.820 1.00 0.36 C ATOM 347 O TYR A 22 -8.856 9.816 -10.617 1.00 0.38 O ATOM 348 CB TYR A 22 -11.873 8.593 -11.012 1.00 0.34 C ATOM 349 CG TYR A 22 -12.989 8.021 -11.861 1.00 0.38 C ATOM 350 CD1 TYR A 22 -12.800 6.864 -12.606 1.00 0.50 C ATOM 351 CD2 TYR A 22 -14.231 8.639 -11.919 1.00 0.50 C ATOM 352 CE1 TYR A 22 -13.816 6.339 -13.383 1.00 0.60 C ATOM 353 CE2 TYR A 22 -15.253 8.120 -12.691 1.00 0.62 C ATOM 354 CZ TYR A 22 -15.041 6.971 -13.420 1.00 0.62 C ATOM 355 OH TYR A 22 -16.059 6.443 -14.186 1.00 0.76 O ATOM 0 H TYR A 22 -9.643 7.945 -12.354 1.00 0.40 H new ATOM 0 HA TYR A 22 -11.504 10.234 -12.339 1.00 0.37 H new ATOM 0 HB2 TYR A 22 -11.306 7.773 -10.571 1.00 0.34 H new ATOM 0 HB3 TYR A 22 -12.307 9.159 -10.188 1.00 0.34 H new ATOM 0 HD1 TYR A 22 -11.842 6.366 -12.578 1.00 0.50 H new ATOM 0 HD2 TYR A 22 -14.401 9.541 -11.351 1.00 0.50 H new ATOM 0 HE1 TYR A 22 -13.651 5.439 -13.957 1.00 0.60 H new ATOM 0 HE2 TYR A 22 -16.213 8.613 -12.722 1.00 0.62 H new ATOM 0 HH TYR A 22 -16.857 7.006 -14.103 1.00 0.76 H new ATOM 365 N SER A 23 -10.509 11.287 -10.233 1.00 0.37 N ATOM 366 CA SER A 23 -9.741 12.081 -9.300 1.00 0.39 C ATOM 367 C SER A 23 -9.980 11.615 -7.876 1.00 0.35 C ATOM 368 O SER A 23 -11.074 11.167 -7.531 1.00 0.34 O ATOM 369 CB SER A 23 -10.154 13.537 -9.423 1.00 0.45 C ATOM 370 OG SER A 23 -9.199 14.409 -8.843 1.00 0.52 O ATOM 0 H SER A 23 -11.459 11.624 -10.390 1.00 0.37 H new ATOM 0 HA SER A 23 -8.682 11.968 -9.534 1.00 0.39 H new ATOM 0 HB2 SER A 23 -10.284 13.790 -10.475 1.00 0.45 H new ATOM 0 HB3 SER A 23 -11.120 13.682 -8.939 1.00 0.45 H new ATOM 0 HG SER A 23 -9.415 15.335 -9.081 1.00 0.52 H new ATOM 376 N TRP A 24 -8.959 11.738 -7.054 1.00 0.37 N ATOM 377 CA TRP A 24 -9.079 11.435 -5.645 1.00 0.36 C ATOM 378 C TRP A 24 -9.876 12.530 -4.941 1.00 0.35 C ATOM 379 O TRP A 24 -10.877 12.252 -4.281 1.00 0.34 O ATOM 380 CB TRP A 24 -7.687 11.268 -5.015 1.00 0.45 C ATOM 381 CG TRP A 24 -7.636 11.623 -3.559 1.00 0.43 C ATOM 382 CD1 TRP A 24 -8.287 10.998 -2.538 1.00 0.96 C ATOM 383 CD2 TRP A 24 -6.886 12.689 -2.964 1.00 1.27 C ATOM 384 NE1 TRP A 24 -8.020 11.633 -1.351 1.00 0.61 N ATOM 385 CE2 TRP A 24 -7.155 12.668 -1.585 1.00 1.10 C ATOM 386 CE3 TRP A 24 -6.021 13.664 -3.465 1.00 2.43 C ATOM 387 CZ2 TRP A 24 -6.591 13.585 -0.701 1.00 2.00 C ATOM 388 CZ3 TRP A 24 -5.458 14.571 -2.587 1.00 3.36 C ATOM 389 CH2 TRP A 24 -5.744 14.526 -1.218 1.00 3.13 C ATOM 0 H TRP A 24 -8.031 12.048 -7.341 1.00 0.37 H new ATOM 0 HA TRP A 24 -9.616 10.494 -5.526 1.00 0.36 H new ATOM 0 HB2 TRP A 24 -7.364 10.234 -5.139 1.00 0.45 H new ATOM 0 HB3 TRP A 24 -6.976 11.892 -5.557 1.00 0.45 H new ATOM 0 HD1 TRP A 24 -8.920 10.130 -2.647 1.00 0.96 H new ATOM 0 HE1 TRP A 24 -8.404 11.376 -0.442 1.00 0.61 H new ATOM 0 HE3 TRP A 24 -5.796 13.709 -4.520 1.00 2.43 H new ATOM 0 HZ2 TRP A 24 -6.815 13.554 0.355 1.00 2.00 H new ATOM 0 HZ3 TRP A 24 -4.786 15.327 -2.964 1.00 3.36 H new ATOM 0 HH2 TRP A 24 -5.287 15.248 -0.557 1.00 3.13 H new ATOM 400 N SER A 25 -9.455 13.777 -5.118 1.00 0.39 N ATOM 401 CA SER A 25 -10.040 14.888 -4.382 1.00 0.44 C ATOM 402 C SER A 25 -11.483 15.163 -4.803 1.00 0.43 C ATOM 403 O SER A 25 -12.275 15.641 -3.996 1.00 0.49 O ATOM 404 CB SER A 25 -9.202 16.152 -4.558 1.00 0.53 C ATOM 405 OG SER A 25 -7.847 15.923 -4.215 1.00 1.37 O ATOM 0 H SER A 25 -8.712 14.042 -5.764 1.00 0.39 H new ATOM 0 HA SER A 25 -10.048 14.601 -3.330 1.00 0.44 H new ATOM 0 HB2 SER A 25 -9.265 16.492 -5.592 1.00 0.53 H new ATOM 0 HB3 SER A 25 -9.607 16.949 -3.935 1.00 0.53 H new ATOM 0 HG SER A 25 -7.748 15.014 -3.861 1.00 1.37 H new ATOM 411 N GLN A 26 -11.835 14.861 -6.055 1.00 0.40 N ATOM 412 CA GLN A 26 -13.195 15.116 -6.530 1.00 0.42 C ATOM 413 C GLN A 26 -14.220 14.327 -5.727 1.00 0.38 C ATOM 414 O GLN A 26 -15.363 14.756 -5.565 1.00 0.41 O ATOM 415 CB GLN A 26 -13.350 14.781 -8.014 1.00 0.47 C ATOM 416 CG GLN A 26 -12.609 15.740 -8.927 1.00 0.59 C ATOM 417 CD GLN A 26 -12.832 15.485 -10.406 1.00 0.73 C ATOM 418 OE1 GLN A 26 -13.996 14.978 -10.752 1.00 1.11 O flip ATOM 419 NE2 GLN A 26 -11.954 15.749 -11.229 1.00 1.10 N flip ATOM 0 H GLN A 26 -11.210 14.447 -6.746 1.00 0.40 H new ATOM 0 HA GLN A 26 -13.376 16.182 -6.392 1.00 0.42 H new ATOM 0 HB2 GLN A 26 -12.987 13.769 -8.191 1.00 0.47 H new ATOM 0 HB3 GLN A 26 -14.409 14.789 -8.272 1.00 0.47 H new ATOM 0 HG2 GLN A 26 -12.919 16.759 -8.694 1.00 0.59 H new ATOM 0 HG3 GLN A 26 -11.542 15.675 -8.715 1.00 0.59 H new ATOM 0 HE21 GLN A 26 -11.065 16.141 -10.918 1.00 1.10 H new ATOM 0 HE22 GLN A 26 -12.116 15.575 -12.221 1.00 1.10 H new ATOM 428 N PHE A 27 -13.809 13.175 -5.223 1.00 0.35 N ATOM 429 CA PHE A 27 -14.721 12.289 -4.521 1.00 0.38 C ATOM 430 C PHE A 27 -14.413 12.245 -3.029 1.00 0.43 C ATOM 431 O PHE A 27 -15.225 11.777 -2.230 1.00 0.67 O ATOM 432 CB PHE A 27 -14.628 10.886 -5.119 1.00 0.43 C ATOM 433 CG PHE A 27 -14.767 10.869 -6.614 1.00 0.67 C ATOM 434 CD1 PHE A 27 -15.730 11.641 -7.239 1.00 0.85 C ATOM 435 CD2 PHE A 27 -13.943 10.072 -7.394 1.00 0.94 C ATOM 436 CE1 PHE A 27 -15.868 11.620 -8.612 1.00 1.16 C ATOM 437 CE2 PHE A 27 -14.080 10.043 -8.767 1.00 1.20 C ATOM 438 CZ PHE A 27 -15.004 10.858 -9.381 1.00 1.28 C ATOM 0 H PHE A 27 -12.850 12.832 -5.287 1.00 0.35 H new ATOM 0 HA PHE A 27 -15.734 12.672 -4.640 1.00 0.38 H new ATOM 0 HB2 PHE A 27 -13.670 10.444 -4.845 1.00 0.43 H new ATOM 0 HB3 PHE A 27 -15.405 10.259 -4.681 1.00 0.43 H new ATOM 0 HD1 PHE A 27 -16.381 12.267 -6.646 1.00 0.85 H new ATOM 0 HD2 PHE A 27 -13.184 9.466 -6.921 1.00 0.94 H new ATOM 0 HE1 PHE A 27 -16.648 12.197 -9.086 1.00 1.16 H new ATOM 0 HE2 PHE A 27 -13.464 9.382 -9.358 1.00 1.20 H new ATOM 0 HZ PHE A 27 -15.055 10.903 -10.459 1.00 1.28 H new ATOM 448 N SER A 28 -13.235 12.725 -2.658 1.00 0.39 N ATOM 449 CA SER A 28 -12.800 12.673 -1.275 1.00 0.42 C ATOM 450 C SER A 28 -12.959 13.998 -0.565 1.00 0.58 C ATOM 451 O SER A 28 -12.814 15.074 -1.143 1.00 1.01 O ATOM 452 CB SER A 28 -11.357 12.213 -1.188 1.00 0.62 C ATOM 453 OG SER A 28 -11.190 10.959 -1.824 1.00 1.81 O ATOM 0 H SER A 28 -12.566 13.154 -3.297 1.00 0.39 H new ATOM 0 HA SER A 28 -13.445 11.953 -0.771 1.00 0.42 H new ATOM 0 HB2 SER A 28 -10.706 12.952 -1.655 1.00 0.62 H new ATOM 0 HB3 SER A 28 -11.057 12.139 -0.143 1.00 0.62 H new ATOM 0 HG SER A 28 -10.254 10.852 -2.095 1.00 1.81 H new ATOM 459 N ASP A 29 -13.219 13.869 0.712 1.00 0.63 N ATOM 460 CA ASP A 29 -13.459 14.980 1.602 1.00 0.84 C ATOM 461 C ASP A 29 -12.390 14.991 2.687 1.00 0.88 C ATOM 462 O ASP A 29 -12.338 15.886 3.531 1.00 1.03 O ATOM 463 CB ASP A 29 -14.831 14.796 2.244 1.00 1.04 C ATOM 464 CG ASP A 29 -15.992 15.140 1.330 1.00 1.69 C ATOM 465 OD1 ASP A 29 -16.073 14.564 0.225 1.00 2.31 O ATOM 466 OD2 ASP A 29 -16.822 16.000 1.697 1.00 1.85 O ATOM 0 H ASP A 29 -13.271 12.962 1.176 1.00 0.63 H new ATOM 0 HA ASP A 29 -13.426 15.920 1.052 1.00 0.84 H new ATOM 0 HB2 ASP A 29 -14.933 13.761 2.569 1.00 1.04 H new ATOM 0 HB3 ASP A 29 -14.889 15.418 3.137 1.00 1.04 H new ATOM 471 N VAL A 30 -11.530 13.981 2.627 1.00 0.80 N ATOM 472 CA VAL A 30 -10.583 13.679 3.691 1.00 0.82 C ATOM 473 C VAL A 30 -9.543 14.784 3.903 1.00 0.82 C ATOM 474 O VAL A 30 -9.670 15.581 4.828 1.00 0.92 O ATOM 475 CB VAL A 30 -9.878 12.342 3.373 1.00 0.81 C ATOM 476 CG1 VAL A 30 -10.817 11.179 3.635 1.00 0.89 C ATOM 477 CG2 VAL A 30 -9.413 12.318 1.922 1.00 0.76 C ATOM 0 H VAL A 30 -11.471 13.344 1.832 1.00 0.80 H new ATOM 0 HA VAL A 30 -11.148 13.606 4.621 1.00 0.82 H new ATOM 0 HB VAL A 30 -9.007 12.248 4.022 1.00 0.81 H new ATOM 0 HG11 VAL A 30 -10.308 10.242 3.407 1.00 0.89 H new ATOM 0 HG12 VAL A 30 -11.118 11.183 4.683 1.00 0.89 H new ATOM 0 HG13 VAL A 30 -11.700 11.275 3.004 1.00 0.89 H new ATOM 0 HG21 VAL A 30 -8.918 11.369 1.714 1.00 0.76 H new ATOM 0 HG22 VAL A 30 -10.273 12.431 1.262 1.00 0.76 H new ATOM 0 HG23 VAL A 30 -8.714 13.137 1.750 1.00 0.76 H new ATOM 487 N GLU A 31 -8.558 14.875 3.016 1.00 0.78 N ATOM 488 CA GLU A 31 -7.513 15.880 3.141 1.00 0.83 C ATOM 489 C GLU A 31 -7.994 17.167 2.508 1.00 0.88 C ATOM 490 O GLU A 31 -7.311 18.188 2.506 1.00 0.98 O ATOM 491 CB GLU A 31 -6.217 15.404 2.480 1.00 0.93 C ATOM 492 CG GLU A 31 -5.739 14.047 2.978 1.00 1.05 C ATOM 493 CD GLU A 31 -5.608 13.988 4.487 1.00 2.05 C ATOM 494 OE1 GLU A 31 -4.535 14.367 5.003 1.00 2.46 O ATOM 495 OE2 GLU A 31 -6.579 13.572 5.156 1.00 2.74 O ATOM 0 H GLU A 31 -8.463 14.265 2.204 1.00 0.78 H new ATOM 0 HA GLU A 31 -7.299 16.050 4.196 1.00 0.83 H new ATOM 0 HB2 GLU A 31 -6.367 15.353 1.402 1.00 0.93 H new ATOM 0 HB3 GLU A 31 -5.436 16.143 2.659 1.00 0.93 H new ATOM 0 HG2 GLU A 31 -6.437 13.278 2.648 1.00 1.05 H new ATOM 0 HG3 GLU A 31 -4.774 13.818 2.525 1.00 1.05 H new ATOM 502 N GLU A 32 -9.190 17.085 1.959 1.00 0.87 N ATOM 503 CA GLU A 32 -9.864 18.230 1.402 1.00 0.98 C ATOM 504 C GLU A 32 -10.180 19.243 2.493 1.00 1.09 C ATOM 505 O GLU A 32 -10.010 20.447 2.311 1.00 1.24 O ATOM 506 CB GLU A 32 -11.153 17.780 0.719 1.00 0.98 C ATOM 507 CG GLU A 32 -12.047 18.943 0.324 1.00 1.12 C ATOM 508 CD GLU A 32 -13.266 18.524 -0.459 1.00 1.20 C ATOM 509 OE1 GLU A 32 -14.184 17.936 0.139 1.00 1.17 O ATOM 510 OE2 GLU A 32 -13.326 18.815 -1.671 1.00 1.45 O ATOM 0 H GLU A 32 -9.720 16.216 1.889 1.00 0.87 H new ATOM 0 HA GLU A 32 -9.211 18.704 0.669 1.00 0.98 H new ATOM 0 HB2 GLU A 32 -10.904 17.200 -0.170 1.00 0.98 H new ATOM 0 HB3 GLU A 32 -11.701 17.117 1.389 1.00 0.98 H new ATOM 0 HG2 GLU A 32 -12.366 19.468 1.224 1.00 1.12 H new ATOM 0 HG3 GLU A 32 -11.469 19.651 -0.270 1.00 1.12 H new ATOM 630 N THR A 41 6.246 12.823 4.347 1.00 1.12 N ATOM 631 CA THR A 41 7.188 13.128 5.407 1.00 0.86 C ATOM 632 C THR A 41 8.251 12.021 5.515 1.00 0.75 C ATOM 633 O THR A 41 9.396 12.207 5.103 1.00 0.85 O ATOM 634 CB THR A 41 6.455 13.331 6.758 1.00 0.80 C ATOM 635 OG1 THR A 41 7.380 13.307 7.849 1.00 0.95 O ATOM 636 CG2 THR A 41 5.365 12.287 6.973 1.00 0.91 C ATOM 0 HA THR A 41 7.692 14.062 5.160 1.00 0.86 H new ATOM 0 HB THR A 41 5.979 14.311 6.720 1.00 0.80 H new ATOM 0 HG1 THR A 41 6.896 13.439 8.691 1.00 0.95 H new ATOM 0 HG21 THR A 41 4.875 12.464 7.931 1.00 0.91 H new ATOM 0 HG22 THR A 41 4.630 12.358 6.171 1.00 0.91 H new ATOM 0 HG23 THR A 41 5.809 11.292 6.971 1.00 0.91 H new ATOM 644 N GLU A 42 7.870 10.882 6.079 1.00 0.69 N ATOM 645 CA GLU A 42 8.658 9.657 5.979 1.00 0.66 C ATOM 646 C GLU A 42 8.130 8.847 4.818 1.00 0.54 C ATOM 647 O GLU A 42 8.803 8.004 4.229 1.00 0.56 O ATOM 648 CB GLU A 42 8.524 8.842 7.260 1.00 0.74 C ATOM 649 CG GLU A 42 7.127 8.278 7.503 1.00 0.65 C ATOM 650 CD GLU A 42 6.997 7.642 8.870 1.00 1.20 C ATOM 651 OE1 GLU A 42 7.802 6.741 9.186 1.00 2.02 O ATOM 652 OE2 GLU A 42 6.081 8.029 9.627 1.00 1.17 O ATOM 0 H GLU A 42 7.010 10.780 6.617 1.00 0.69 H new ATOM 0 HA GLU A 42 9.708 9.906 5.828 1.00 0.66 H new ATOM 0 HB2 GLU A 42 9.236 8.017 7.228 1.00 0.74 H new ATOM 0 HB3 GLU A 42 8.802 9.470 8.107 1.00 0.74 H new ATOM 0 HG2 GLU A 42 6.392 9.077 7.405 1.00 0.65 H new ATOM 0 HG3 GLU A 42 6.897 7.538 6.736 1.00 0.65 H new ATOM 659 N SER A 43 6.889 9.147 4.537 1.00 0.48 N ATOM 660 CA SER A 43 6.052 8.405 3.631 1.00 0.43 C ATOM 661 C SER A 43 6.535 8.389 2.201 1.00 0.43 C ATOM 662 O SER A 43 6.255 7.443 1.502 1.00 0.49 O ATOM 663 CB SER A 43 4.683 9.024 3.675 1.00 0.50 C ATOM 664 OG SER A 43 4.790 10.354 4.150 1.00 1.25 O ATOM 0 H SER A 43 6.414 9.949 4.951 1.00 0.48 H new ATOM 0 HA SER A 43 6.063 7.365 3.958 1.00 0.43 H new ATOM 0 HB2 SER A 43 4.234 9.015 2.682 1.00 0.50 H new ATOM 0 HB3 SER A 43 4.029 8.444 4.326 1.00 0.50 H new ATOM 0 HG SER A 43 4.401 10.968 3.493 1.00 1.25 H new ATOM 670 N GLU A 44 7.219 9.431 1.761 1.00 0.46 N ATOM 671 CA GLU A 44 7.598 9.542 0.347 1.00 0.52 C ATOM 672 C GLU A 44 8.180 8.231 -0.185 1.00 0.51 C ATOM 673 O GLU A 44 7.723 7.718 -1.199 1.00 0.58 O ATOM 674 CB GLU A 44 8.582 10.687 0.117 1.00 0.61 C ATOM 675 CG GLU A 44 9.007 10.821 -1.338 1.00 0.72 C ATOM 676 CD GLU A 44 9.958 11.974 -1.580 1.00 1.17 C ATOM 677 OE1 GLU A 44 9.507 13.138 -1.569 1.00 1.29 O ATOM 678 OE2 GLU A 44 11.165 11.720 -1.769 1.00 1.91 O ATOM 0 H GLU A 44 7.524 10.208 2.347 1.00 0.46 H new ATOM 0 HA GLU A 44 6.685 9.760 -0.207 1.00 0.52 H new ATOM 0 HB2 GLU A 44 8.127 11.622 0.445 1.00 0.61 H new ATOM 0 HB3 GLU A 44 9.466 10.529 0.735 1.00 0.61 H new ATOM 0 HG2 GLU A 44 9.483 9.894 -1.657 1.00 0.72 H new ATOM 0 HG3 GLU A 44 8.120 10.954 -1.958 1.00 0.72 H new ATOM 685 N ALA A 45 9.144 7.670 0.527 1.00 0.48 N ATOM 686 CA ALA A 45 9.729 6.393 0.139 1.00 0.48 C ATOM 687 C ALA A 45 8.771 5.251 0.460 1.00 0.41 C ATOM 688 O ALA A 45 8.655 4.289 -0.299 1.00 0.41 O ATOM 689 CB ALA A 45 11.065 6.189 0.838 1.00 0.52 C ATOM 0 H ALA A 45 9.539 8.076 1.375 1.00 0.48 H new ATOM 0 HA ALA A 45 9.903 6.401 -0.937 1.00 0.48 H new ATOM 0 HB1 ALA A 45 11.490 5.231 0.538 1.00 0.52 H new ATOM 0 HB2 ALA A 45 11.748 6.992 0.559 1.00 0.52 H new ATOM 0 HB3 ALA A 45 10.916 6.198 1.918 1.00 0.52 H new ATOM 695 N VAL A 46 8.087 5.383 1.590 1.00 0.37 N ATOM 696 CA VAL A 46 7.082 4.423 2.030 1.00 0.34 C ATOM 697 C VAL A 46 6.014 4.209 0.961 1.00 0.34 C ATOM 698 O VAL A 46 5.890 3.126 0.408 1.00 0.39 O ATOM 699 CB VAL A 46 6.397 4.938 3.300 1.00 0.49 C ATOM 700 CG1 VAL A 46 5.237 4.061 3.702 1.00 1.41 C ATOM 701 CG2 VAL A 46 7.364 5.085 4.452 1.00 1.13 C ATOM 0 H VAL A 46 8.215 6.165 2.232 1.00 0.37 H new ATOM 0 HA VAL A 46 7.588 3.477 2.222 1.00 0.34 H new ATOM 0 HB VAL A 46 6.013 5.929 3.059 1.00 0.49 H new ATOM 0 HG11 VAL A 46 4.777 4.458 4.607 1.00 1.41 H new ATOM 0 HG12 VAL A 46 4.500 4.041 2.899 1.00 1.41 H new ATOM 0 HG13 VAL A 46 5.595 3.049 3.891 1.00 1.41 H new ATOM 0 HG21 VAL A 46 6.832 5.453 5.329 1.00 1.13 H new ATOM 0 HG22 VAL A 46 7.811 4.117 4.678 1.00 1.13 H new ATOM 0 HG23 VAL A 46 8.148 5.792 4.181 1.00 1.13 H new ATOM 711 N LYS A 47 5.256 5.263 0.680 1.00 0.34 N ATOM 712 CA LYS A 47 4.147 5.208 -0.266 1.00 0.36 C ATOM 713 C LYS A 47 4.654 4.826 -1.646 1.00 0.39 C ATOM 714 O LYS A 47 3.976 4.133 -2.405 1.00 0.43 O ATOM 715 CB LYS A 47 3.432 6.560 -0.323 1.00 0.38 C ATOM 716 CG LYS A 47 4.367 7.714 -0.634 1.00 0.49 C ATOM 717 CD LYS A 47 3.648 9.035 -0.748 1.00 0.47 C ATOM 718 CE LYS A 47 3.045 9.456 0.569 1.00 0.47 C ATOM 719 NZ LYS A 47 2.446 10.818 0.490 1.00 0.67 N ATOM 0 H LYS A 47 5.393 6.181 1.102 1.00 0.34 H new ATOM 0 HA LYS A 47 3.438 4.451 0.070 1.00 0.36 H new ATOM 0 HB2 LYS A 47 2.650 6.519 -1.081 1.00 0.38 H new ATOM 0 HB3 LYS A 47 2.941 6.745 0.632 1.00 0.38 H new ATOM 0 HG2 LYS A 47 5.123 7.784 0.148 1.00 0.49 H new ATOM 0 HG3 LYS A 47 4.891 7.509 -1.567 1.00 0.49 H new ATOM 0 HD2 LYS A 47 4.344 9.800 -1.091 1.00 0.47 H new ATOM 0 HD3 LYS A 47 2.863 8.959 -1.500 1.00 0.47 H new ATOM 0 HE2 LYS A 47 2.280 8.738 0.865 1.00 0.47 H new ATOM 0 HE3 LYS A 47 3.813 9.440 1.342 1.00 0.47 H new ATOM 0 HZ1 LYS A 47 2.506 11.278 1.421 1.00 0.67 H new ATOM 0 HZ2 LYS A 47 2.965 11.385 -0.211 1.00 0.67 H new ATOM 0 HZ3 LYS A 47 1.449 10.743 0.205 1.00 0.67 H new ATOM 733 N GLN A 48 5.855 5.284 -1.962 1.00 0.40 N ATOM 734 CA GLN A 48 6.507 4.888 -3.203 1.00 0.46 C ATOM 735 C GLN A 48 6.764 3.385 -3.243 1.00 0.45 C ATOM 736 O GLN A 48 6.666 2.777 -4.297 1.00 0.50 O ATOM 737 CB GLN A 48 7.814 5.648 -3.422 1.00 0.52 C ATOM 738 CG GLN A 48 7.628 6.997 -4.097 1.00 0.58 C ATOM 739 CD GLN A 48 6.896 6.909 -5.428 1.00 0.67 C ATOM 740 OE1 GLN A 48 7.015 5.778 -6.115 1.00 0.99 O flip ATOM 741 NE2 GLN A 48 6.213 7.847 -5.830 1.00 0.63 N flip ATOM 0 H GLN A 48 6.396 5.926 -1.382 1.00 0.40 H new ATOM 0 HA GLN A 48 5.823 5.144 -4.012 1.00 0.46 H new ATOM 0 HB2 GLN A 48 8.303 5.797 -2.460 1.00 0.52 H new ATOM 0 HB3 GLN A 48 8.483 5.037 -4.028 1.00 0.52 H new ATOM 0 HG2 GLN A 48 7.074 7.656 -3.429 1.00 0.58 H new ATOM 0 HG3 GLN A 48 8.605 7.453 -4.257 1.00 0.58 H new ATOM 0 HE21 GLN A 48 6.144 8.701 -5.277 1.00 0.63 H new ATOM 0 HE22 GLN A 48 5.715 7.772 -6.717 1.00 0.63 H new ATOM 750 N ALA A 49 7.098 2.791 -2.105 1.00 0.42 N ATOM 751 CA ALA A 49 7.264 1.341 -2.021 1.00 0.41 C ATOM 752 C ALA A 49 5.901 0.660 -1.982 1.00 0.39 C ATOM 753 O ALA A 49 5.705 -0.417 -2.541 1.00 0.42 O ATOM 754 CB ALA A 49 8.077 0.960 -0.795 1.00 0.42 C ATOM 0 H ALA A 49 7.260 3.287 -1.228 1.00 0.42 H new ATOM 0 HA ALA A 49 7.804 1.005 -2.906 1.00 0.41 H new ATOM 0 HB1 ALA A 49 8.187 -0.124 -0.754 1.00 0.42 H new ATOM 0 HB2 ALA A 49 9.062 1.423 -0.853 1.00 0.42 H new ATOM 0 HB3 ALA A 49 7.566 1.307 0.103 1.00 0.42 H new ATOM 760 N LEU A 50 4.966 1.329 -1.326 1.00 0.38 N ATOM 761 CA LEU A 50 3.593 0.856 -1.163 1.00 0.40 C ATOM 762 C LEU A 50 2.934 0.538 -2.498 1.00 0.41 C ATOM 763 O LEU A 50 2.226 -0.457 -2.625 1.00 0.43 O ATOM 764 CB LEU A 50 2.781 1.930 -0.430 1.00 0.45 C ATOM 765 CG LEU A 50 2.775 1.860 1.095 1.00 0.69 C ATOM 766 CD1 LEU A 50 1.458 1.317 1.602 1.00 1.33 C ATOM 767 CD2 LEU A 50 3.925 1.009 1.584 1.00 1.20 C ATOM 0 H LEU A 50 5.139 2.231 -0.883 1.00 0.38 H new ATOM 0 HA LEU A 50 3.619 -0.068 -0.585 1.00 0.40 H new ATOM 0 HB2 LEU A 50 3.164 2.907 -0.725 1.00 0.45 H new ATOM 0 HB3 LEU A 50 1.749 1.874 -0.778 1.00 0.45 H new ATOM 0 HG LEU A 50 2.898 2.870 1.487 1.00 0.69 H new ATOM 0 HD11 LEU A 50 1.476 1.276 2.691 1.00 1.33 H new ATOM 0 HD12 LEU A 50 0.647 1.968 1.277 1.00 1.33 H new ATOM 0 HD13 LEU A 50 1.300 0.315 1.204 1.00 1.33 H new ATOM 0 HD21 LEU A 50 3.909 0.967 2.673 1.00 1.20 H new ATOM 0 HD22 LEU A 50 3.829 0.001 1.181 1.00 1.20 H new ATOM 0 HD23 LEU A 50 4.867 1.445 1.251 1.00 1.20 H new ATOM 779 N ARG A 51 3.197 1.363 -3.501 1.00 0.44 N ATOM 780 CA ARG A 51 2.526 1.222 -4.784 1.00 0.50 C ATOM 781 C ARG A 51 3.184 0.109 -5.578 1.00 0.52 C ATOM 782 O ARG A 51 2.535 -0.621 -6.321 1.00 0.59 O ATOM 783 CB ARG A 51 2.593 2.541 -5.549 1.00 0.53 C ATOM 784 CG ARG A 51 3.982 3.148 -5.539 1.00 0.52 C ATOM 785 CD ARG A 51 4.066 4.396 -6.386 1.00 0.73 C ATOM 786 NE ARG A 51 3.197 5.469 -5.903 1.00 1.21 N ATOM 787 CZ ARG A 51 2.881 6.544 -6.624 1.00 1.63 C ATOM 788 NH1 ARG A 51 3.288 6.641 -7.886 1.00 1.96 N ATOM 789 NH2 ARG A 51 2.143 7.509 -6.091 1.00 2.17 N ATOM 0 H ARG A 51 3.866 2.132 -3.452 1.00 0.44 H new ATOM 0 HA ARG A 51 1.478 0.968 -4.625 1.00 0.50 H new ATOM 0 HB2 ARG A 51 2.280 2.376 -6.580 1.00 0.53 H new ATOM 0 HB3 ARG A 51 1.888 3.248 -5.111 1.00 0.53 H new ATOM 0 HG2 ARG A 51 4.265 3.387 -4.514 1.00 0.52 H new ATOM 0 HG3 ARG A 51 4.700 2.414 -5.905 1.00 0.52 H new ATOM 0 HD2 ARG A 51 5.097 4.749 -6.403 1.00 0.73 H new ATOM 0 HD3 ARG A 51 3.796 4.151 -7.413 1.00 0.73 H new ATOM 0 HE ARG A 51 2.812 5.390 -4.962 1.00 1.21 H new ATOM 0 HH11 ARG A 51 3.842 5.893 -8.302 1.00 1.96 H new ATOM 0 HH12 ARG A 51 3.046 7.464 -8.438 1.00 1.96 H new ATOM 0 HH21 ARG A 51 1.817 7.429 -5.128 1.00 2.17 H new ATOM 0 HH22 ARG A 51 1.902 8.331 -6.644 1.00 2.17 H new ATOM 803 N GLU A 52 4.482 -0.011 -5.382 1.00 0.49 N ATOM 804 CA GLU A 52 5.282 -1.039 -6.017 1.00 0.54 C ATOM 805 C GLU A 52 4.905 -2.413 -5.471 1.00 0.53 C ATOM 806 O GLU A 52 4.753 -3.377 -6.224 1.00 0.58 O ATOM 807 CB GLU A 52 6.749 -0.737 -5.744 1.00 0.59 C ATOM 808 CG GLU A 52 7.143 0.677 -6.140 1.00 0.63 C ATOM 809 CD GLU A 52 7.510 0.791 -7.604 1.00 0.87 C ATOM 810 OE1 GLU A 52 6.596 0.974 -8.436 1.00 1.07 O ATOM 811 OE2 GLU A 52 8.711 0.695 -7.933 1.00 1.10 O ATOM 0 H GLU A 52 5.016 0.608 -4.772 1.00 0.49 H new ATOM 0 HA GLU A 52 5.101 -1.047 -7.092 1.00 0.54 H new ATOM 0 HB2 GLU A 52 6.954 -0.883 -4.683 1.00 0.59 H new ATOM 0 HB3 GLU A 52 7.369 -1.448 -6.289 1.00 0.59 H new ATOM 0 HG2 GLU A 52 6.317 1.355 -5.922 1.00 0.63 H new ATOM 0 HG3 GLU A 52 7.988 0.999 -5.531 1.00 0.63 H new ATOM 818 N ALA A 53 4.747 -2.481 -4.156 1.00 0.49 N ATOM 819 CA ALA A 53 4.342 -3.708 -3.487 1.00 0.48 C ATOM 820 C ALA A 53 2.886 -4.034 -3.794 1.00 0.49 C ATOM 821 O ALA A 53 2.535 -5.189 -4.040 1.00 0.53 O ATOM 822 CB ALA A 53 4.551 -3.570 -1.984 1.00 0.45 C ATOM 0 H ALA A 53 4.895 -1.692 -3.527 1.00 0.49 H new ATOM 0 HA ALA A 53 4.957 -4.528 -3.857 1.00 0.48 H new ATOM 0 HB1 ALA A 53 4.246 -4.492 -1.488 1.00 0.45 H new ATOM 0 HB2 ALA A 53 5.604 -3.379 -1.779 1.00 0.45 H new ATOM 0 HB3 ALA A 53 3.952 -2.740 -1.608 1.00 0.45 H new ATOM 828 N GLY A 54 2.049 -3.004 -3.787 1.00 0.49 N ATOM 829 CA GLY A 54 0.640 -3.183 -4.065 1.00 0.53 C ATOM 830 C GLY A 54 0.387 -3.707 -5.461 1.00 0.60 C ATOM 831 O GLY A 54 -0.396 -4.635 -5.645 1.00 0.70 O ATOM 0 H GLY A 54 2.325 -2.042 -3.592 1.00 0.49 H new ATOM 0 HA2 GLY A 54 0.215 -3.875 -3.338 1.00 0.53 H new ATOM 0 HA3 GLY A 54 0.124 -2.231 -3.939 1.00 0.53 H new ATOM 835 N ASP A 55 1.083 -3.131 -6.438 1.00 0.61 N ATOM 836 CA ASP A 55 0.921 -3.504 -7.847 1.00 0.69 C ATOM 837 C ASP A 55 1.112 -5.000 -8.048 1.00 0.70 C ATOM 838 O ASP A 55 0.489 -5.608 -8.915 1.00 0.79 O ATOM 839 CB ASP A 55 1.931 -2.738 -8.706 1.00 0.73 C ATOM 840 CG ASP A 55 1.744 -2.976 -10.194 1.00 0.85 C ATOM 841 OD1 ASP A 55 0.806 -2.395 -10.782 1.00 1.04 O ATOM 842 OD2 ASP A 55 2.535 -3.741 -10.789 1.00 0.82 O ATOM 0 H ASP A 55 1.772 -2.396 -6.280 1.00 0.61 H new ATOM 0 HA ASP A 55 -0.093 -3.245 -8.150 1.00 0.69 H new ATOM 0 HB2 ASP A 55 1.840 -1.672 -8.500 1.00 0.73 H new ATOM 0 HB3 ASP A 55 2.941 -3.033 -8.420 1.00 0.73 H new ATOM 847 N GLU A 56 1.972 -5.577 -7.226 1.00 0.66 N ATOM 848 CA GLU A 56 2.282 -6.998 -7.278 1.00 0.74 C ATOM 849 C GLU A 56 1.224 -7.852 -6.585 1.00 0.77 C ATOM 850 O GLU A 56 1.101 -9.041 -6.870 1.00 0.88 O ATOM 851 CB GLU A 56 3.653 -7.259 -6.660 1.00 0.79 C ATOM 852 CG GLU A 56 4.802 -6.894 -7.578 1.00 1.24 C ATOM 853 CD GLU A 56 4.783 -7.706 -8.854 1.00 1.52 C ATOM 854 OE1 GLU A 56 5.151 -8.899 -8.805 1.00 1.43 O ATOM 855 OE2 GLU A 56 4.388 -7.163 -9.906 1.00 2.29 O ATOM 0 H GLU A 56 2.478 -5.071 -6.499 1.00 0.66 H new ATOM 0 HA GLU A 56 2.291 -7.287 -8.329 1.00 0.74 H new ATOM 0 HB2 GLU A 56 3.741 -6.690 -5.735 1.00 0.79 H new ATOM 0 HB3 GLU A 56 3.730 -8.313 -6.394 1.00 0.79 H new ATOM 0 HG2 GLU A 56 4.749 -5.833 -7.822 1.00 1.24 H new ATOM 0 HG3 GLU A 56 5.747 -7.055 -7.059 1.00 1.24 H new ATOM 862 N PHE A 57 0.515 -7.275 -5.636 1.00 0.71 N ATOM 863 CA PHE A 57 -0.515 -8.008 -4.901 1.00 0.75 C ATOM 864 C PHE A 57 -1.852 -8.064 -5.657 1.00 0.78 C ATOM 865 O PHE A 57 -2.497 -9.111 -5.715 1.00 0.91 O ATOM 866 CB PHE A 57 -0.721 -7.393 -3.513 1.00 0.76 C ATOM 867 CG PHE A 57 -1.805 -8.067 -2.722 1.00 1.09 C ATOM 868 CD1 PHE A 57 -1.584 -9.303 -2.136 1.00 1.37 C ATOM 869 CD2 PHE A 57 -3.048 -7.473 -2.576 1.00 1.71 C ATOM 870 CE1 PHE A 57 -2.580 -9.931 -1.418 1.00 1.79 C ATOM 871 CE2 PHE A 57 -4.049 -8.098 -1.859 1.00 2.29 C ATOM 872 CZ PHE A 57 -3.814 -9.329 -1.279 1.00 2.20 C ATOM 0 H PHE A 57 0.627 -6.302 -5.350 1.00 0.71 H new ATOM 0 HA PHE A 57 -0.160 -9.033 -4.796 1.00 0.75 H new ATOM 0 HB2 PHE A 57 0.214 -7.448 -2.956 1.00 0.76 H new ATOM 0 HB3 PHE A 57 -0.964 -6.336 -3.623 1.00 0.76 H new ATOM 0 HD1 PHE A 57 -0.621 -9.780 -2.243 1.00 1.37 H new ATOM 0 HD2 PHE A 57 -3.236 -6.510 -3.028 1.00 1.71 H new ATOM 0 HE1 PHE A 57 -2.394 -10.894 -0.965 1.00 1.79 H new ATOM 0 HE2 PHE A 57 -5.014 -7.625 -1.752 1.00 2.29 H new ATOM 0 HZ PHE A 57 -4.595 -9.820 -0.717 1.00 2.20 H new ATOM 882 N GLU A 58 -2.249 -6.941 -6.236 1.00 0.73 N ATOM 883 CA GLU A 58 -3.603 -6.764 -6.786 1.00 0.82 C ATOM 884 C GLU A 58 -3.963 -7.791 -7.867 1.00 0.82 C ATOM 885 O GLU A 58 -5.036 -8.398 -7.838 1.00 0.89 O ATOM 886 CB GLU A 58 -3.718 -5.365 -7.375 1.00 0.86 C ATOM 887 CG GLU A 58 -3.199 -4.278 -6.460 1.00 0.91 C ATOM 888 CD GLU A 58 -3.126 -2.938 -7.146 1.00 0.93 C ATOM 889 OE1 GLU A 58 -2.553 -2.862 -8.246 1.00 1.30 O ATOM 890 OE2 GLU A 58 -3.640 -1.947 -6.577 1.00 1.24 O ATOM 0 H GLU A 58 -1.650 -6.122 -6.342 1.00 0.73 H new ATOM 0 HA GLU A 58 -4.302 -6.912 -5.963 1.00 0.82 H new ATOM 0 HB2 GLU A 58 -3.168 -5.330 -8.316 1.00 0.86 H new ATOM 0 HB3 GLU A 58 -4.763 -5.163 -7.609 1.00 0.86 H new ATOM 0 HG2 GLU A 58 -3.847 -4.202 -5.587 1.00 0.91 H new ATOM 0 HG3 GLU A 58 -2.208 -4.553 -6.099 1.00 0.91 H new ATOM 897 N LEU A 59 -3.062 -7.975 -8.815 1.00 0.81 N ATOM 898 CA LEU A 59 -3.294 -8.778 -10.003 1.00 0.87 C ATOM 899 C LEU A 59 -3.172 -10.269 -9.728 1.00 0.85 C ATOM 900 O LEU A 59 -3.461 -11.088 -10.592 1.00 0.96 O ATOM 901 CB LEU A 59 -2.241 -8.393 -11.028 1.00 0.96 C ATOM 902 CG LEU A 59 -0.818 -8.886 -10.720 1.00 1.06 C ATOM 903 CD1 LEU A 59 0.153 -8.361 -11.731 1.00 1.54 C ATOM 904 CD2 LEU A 59 -0.347 -8.465 -9.351 1.00 1.46 C ATOM 0 H LEU A 59 -2.130 -7.562 -8.780 1.00 0.81 H new ATOM 0 HA LEU A 59 -4.308 -8.589 -10.355 1.00 0.87 H new ATOM 0 HB2 LEU A 59 -2.542 -8.785 -12.000 1.00 0.96 H new ATOM 0 HB3 LEU A 59 -2.221 -7.307 -11.115 1.00 0.96 H new ATOM 0 HG LEU A 59 -0.858 -9.975 -10.757 1.00 1.06 H new ATOM 0 HD11 LEU A 59 1.154 -8.721 -11.495 1.00 1.54 H new ATOM 0 HD12 LEU A 59 -0.133 -8.708 -12.724 1.00 1.54 H new ATOM 0 HD13 LEU A 59 0.146 -7.271 -11.711 1.00 1.54 H new ATOM 0 HD21 LEU A 59 0.663 -8.838 -9.183 1.00 1.46 H new ATOM 0 HD22 LEU A 59 -0.347 -7.377 -9.285 1.00 1.46 H new ATOM 0 HD23 LEU A 59 -1.016 -8.875 -8.594 1.00 1.46 H new ATOM 916 N ARG A 60 -2.725 -10.592 -8.527 1.00 0.83 N ATOM 917 CA ARG A 60 -2.182 -11.914 -8.211 1.00 0.90 C ATOM 918 C ARG A 60 -2.978 -13.115 -8.732 1.00 0.98 C ATOM 919 O ARG A 60 -2.375 -14.166 -8.957 1.00 1.15 O ATOM 920 CB ARG A 60 -1.923 -12.065 -6.713 1.00 1.03 C ATOM 921 CG ARG A 60 -0.583 -11.485 -6.303 1.00 1.00 C ATOM 922 CD ARG A 60 -0.205 -11.842 -4.878 1.00 1.07 C ATOM 923 NE ARG A 60 1.176 -11.456 -4.586 1.00 1.41 N ATOM 924 CZ ARG A 60 2.217 -12.278 -4.712 1.00 1.94 C ATOM 925 NH1 ARG A 60 2.023 -13.545 -5.069 1.00 2.43 N ATOM 926 NH2 ARG A 60 3.448 -11.842 -4.473 1.00 2.58 N ATOM 0 H ARG A 60 -2.726 -9.947 -7.737 1.00 0.83 H new ATOM 0 HA ARG A 60 -1.243 -11.941 -8.764 1.00 0.90 H new ATOM 0 HB2 ARG A 60 -2.718 -11.568 -6.157 1.00 1.03 H new ATOM 0 HB3 ARG A 60 -1.958 -13.121 -6.444 1.00 1.03 H new ATOM 0 HG2 ARG A 60 0.189 -11.848 -6.982 1.00 1.00 H new ATOM 0 HG3 ARG A 60 -0.614 -10.400 -6.406 1.00 1.00 H new ATOM 0 HD2 ARG A 60 -0.880 -11.342 -4.183 1.00 1.07 H new ATOM 0 HD3 ARG A 60 -0.326 -12.914 -4.724 1.00 1.07 H new ATOM 0 HE ARG A 60 1.352 -10.503 -4.268 1.00 1.41 H new ATOM 0 HH11 ARG A 60 1.078 -13.886 -5.246 1.00 2.43 H new ATOM 0 HH12 ARG A 60 2.819 -14.175 -5.166 1.00 2.43 H new ATOM 0 HH21 ARG A 60 3.600 -10.874 -4.191 1.00 2.58 H new ATOM 0 HH22 ARG A 60 4.241 -12.475 -4.571 1.00 2.58 H new ATOM 940 N TYR A 61 -4.293 -13.028 -8.933 1.00 1.04 N ATOM 941 CA TYR A 61 -4.949 -14.175 -9.540 1.00 1.26 C ATOM 942 C TYR A 61 -4.956 -14.025 -11.065 1.00 1.32 C ATOM 943 O TYR A 61 -4.048 -14.532 -11.724 1.00 1.59 O ATOM 944 CB TYR A 61 -6.369 -14.350 -9.001 1.00 1.52 C ATOM 945 CG TYR A 61 -6.934 -15.734 -9.239 1.00 2.19 C ATOM 946 CD1 TYR A 61 -6.644 -16.790 -8.381 1.00 2.70 C ATOM 947 CD2 TYR A 61 -7.767 -15.980 -10.322 1.00 2.84 C ATOM 948 CE1 TYR A 61 -7.168 -18.049 -8.601 1.00 3.67 C ATOM 949 CE2 TYR A 61 -8.295 -17.235 -10.546 1.00 3.86 C ATOM 950 CZ TYR A 61 -7.949 -18.287 -9.667 1.00 4.23 C ATOM 951 OH TYR A 61 -8.520 -19.518 -9.908 1.00 5.32 O ATOM 0 H TYR A 61 -4.888 -12.232 -8.702 1.00 1.04 H new ATOM 0 HA TYR A 61 -4.389 -15.073 -9.278 1.00 1.26 H new ATOM 0 HB2 TYR A 61 -6.372 -14.143 -7.931 1.00 1.52 H new ATOM 0 HB3 TYR A 61 -7.021 -13.613 -9.470 1.00 1.52 H new ATOM 0 HD1 TYR A 61 -6.000 -16.623 -7.530 1.00 2.70 H new ATOM 0 HD2 TYR A 61 -8.006 -15.175 -11.001 1.00 2.84 H new ATOM 0 HE1 TYR A 61 -6.948 -18.849 -7.910 1.00 3.67 H new ATOM 0 HE2 TYR A 61 -8.961 -17.411 -11.378 1.00 3.86 H new ATOM 0 HH TYR A 61 -9.050 -19.477 -10.732 1.00 5.32 H new ATOM 961 N ARG A 62 -5.937 -13.338 -11.654 1.00 1.28 N ATOM 962 CA ARG A 62 -5.739 -12.789 -12.994 1.00 1.39 C ATOM 963 C ARG A 62 -5.621 -11.266 -12.967 1.00 1.07 C ATOM 964 O ARG A 62 -4.535 -10.693 -13.023 1.00 1.30 O ATOM 965 CB ARG A 62 -6.856 -13.222 -13.944 1.00 1.72 C ATOM 966 CG ARG A 62 -6.856 -14.708 -14.249 1.00 2.15 C ATOM 967 CD ARG A 62 -7.840 -15.051 -15.356 1.00 2.51 C ATOM 968 NE ARG A 62 -9.225 -14.778 -14.975 1.00 3.10 N ATOM 969 CZ ARG A 62 -10.151 -14.308 -15.810 1.00 3.59 C ATOM 970 NH1 ARG A 62 -9.817 -13.921 -17.036 1.00 3.59 N ATOM 971 NH2 ARG A 62 -11.403 -14.186 -15.397 1.00 4.48 N ATOM 0 H ARG A 62 -6.850 -13.153 -11.238 1.00 1.28 H new ATOM 0 HA ARG A 62 -4.798 -13.192 -13.368 1.00 1.39 H new ATOM 0 HB2 ARG A 62 -7.817 -12.950 -13.508 1.00 1.72 H new ATOM 0 HB3 ARG A 62 -6.761 -12.668 -14.878 1.00 1.72 H new ATOM 0 HG2 ARG A 62 -5.854 -15.020 -14.543 1.00 2.15 H new ATOM 0 HG3 ARG A 62 -7.112 -15.265 -13.348 1.00 2.15 H new ATOM 0 HD2 ARG A 62 -7.592 -14.478 -16.249 1.00 2.51 H new ATOM 0 HD3 ARG A 62 -7.738 -16.105 -15.615 1.00 2.51 H new ATOM 0 HE ARG A 62 -9.500 -14.959 -14.009 1.00 3.10 H new ATOM 0 HH11 ARG A 62 -8.846 -13.983 -17.344 1.00 3.59 H new ATOM 0 HH12 ARG A 62 -10.531 -13.562 -17.670 1.00 3.59 H new ATOM 0 HH21 ARG A 62 -11.654 -14.451 -14.445 1.00 4.48 H new ATOM 0 HH22 ARG A 62 -12.117 -13.827 -16.031 1.00 4.48 H new ATOM 985 N ARG A 63 -6.795 -10.635 -12.928 1.00 0.98 N ATOM 986 CA ARG A 63 -6.962 -9.199 -12.712 1.00 1.19 C ATOM 987 C ARG A 63 -7.413 -8.911 -11.285 1.00 1.20 C ATOM 988 O ARG A 63 -7.812 -7.789 -10.990 1.00 1.45 O ATOM 989 CB ARG A 63 -7.955 -8.579 -13.697 1.00 1.61 C ATOM 990 CG ARG A 63 -7.577 -8.738 -15.159 1.00 2.18 C ATOM 991 CD ARG A 63 -8.090 -10.047 -15.732 1.00 2.52 C ATOM 992 NE ARG A 63 -9.544 -10.150 -15.616 1.00 3.12 N ATOM 993 CZ ARG A 63 -10.359 -10.404 -16.635 1.00 3.84 C ATOM 994 NH1 ARG A 63 -9.871 -10.519 -17.863 1.00 4.07 N ATOM 995 NH2 ARG A 63 -11.666 -10.516 -16.423 1.00 4.72 N ATOM 0 H ARG A 63 -7.682 -11.124 -13.050 1.00 0.98 H new ATOM 0 HA ARG A 63 -5.987 -8.743 -12.882 1.00 1.19 H new ATOM 0 HB2 ARG A 63 -8.935 -9.030 -13.537 1.00 1.61 H new ATOM 0 HB3 ARG A 63 -8.053 -7.517 -13.474 1.00 1.61 H new ATOM 0 HG2 ARG A 63 -7.984 -7.905 -15.733 1.00 2.18 H new ATOM 0 HG3 ARG A 63 -6.493 -8.696 -15.261 1.00 2.18 H new ATOM 0 HD2 ARG A 63 -7.801 -10.124 -16.780 1.00 2.52 H new ATOM 0 HD3 ARG A 63 -7.622 -10.882 -15.210 1.00 2.52 H new ATOM 0 HE ARG A 63 -9.960 -10.018 -14.694 1.00 3.12 H new ATOM 0 HH11 ARG A 63 -8.870 -10.413 -18.026 1.00 4.07 H new ATOM 0 HH12 ARG A 63 -10.497 -10.714 -18.644 1.00 4.07 H new ATOM 0 HH21 ARG A 63 -12.041 -10.407 -15.481 1.00 4.72 H new ATOM 0 HH22 ARG A 63 -12.294 -10.711 -17.203 1.00 4.72 H new ATOM 1009 N ALA A 64 -7.346 -9.934 -10.426 1.00 1.07 N ATOM 1010 CA ALA A 64 -8.245 -10.106 -9.265 1.00 1.09 C ATOM 1011 C ALA A 64 -8.812 -8.813 -8.678 1.00 1.08 C ATOM 1012 O ALA A 64 -10.026 -8.690 -8.587 1.00 1.05 O ATOM 1013 CB ALA A 64 -7.534 -10.893 -8.169 1.00 1.17 C ATOM 0 H ALA A 64 -6.657 -10.681 -10.514 1.00 1.07 H new ATOM 0 HA ALA A 64 -9.105 -10.651 -9.653 1.00 1.09 H new ATOM 0 HB1 ALA A 64 -8.203 -11.016 -7.317 1.00 1.17 H new ATOM 0 HB2 ALA A 64 -7.250 -11.873 -8.551 1.00 1.17 H new ATOM 0 HB3 ALA A 64 -6.641 -10.353 -7.854 1.00 1.17 H new ATOM 1019 N PHE A 65 -7.970 -7.857 -8.303 1.00 1.14 N ATOM 1020 CA PHE A 65 -8.441 -6.616 -7.661 1.00 1.22 C ATOM 1021 C PHE A 65 -9.629 -5.963 -8.403 1.00 1.19 C ATOM 1022 O PHE A 65 -10.443 -5.280 -7.788 1.00 1.22 O ATOM 1023 CB PHE A 65 -7.295 -5.604 -7.521 1.00 1.47 C ATOM 1024 CG PHE A 65 -6.895 -4.927 -8.805 1.00 1.41 C ATOM 1025 CD1 PHE A 65 -6.133 -5.590 -9.752 1.00 1.98 C ATOM 1026 CD2 PHE A 65 -7.277 -3.619 -9.056 1.00 1.67 C ATOM 1027 CE1 PHE A 65 -5.763 -4.964 -10.926 1.00 2.59 C ATOM 1028 CE2 PHE A 65 -6.910 -2.987 -10.229 1.00 2.44 C ATOM 1029 CZ PHE A 65 -6.152 -3.662 -11.165 1.00 2.81 C ATOM 0 H PHE A 65 -6.959 -7.908 -8.428 1.00 1.14 H new ATOM 0 HA PHE A 65 -8.798 -6.904 -6.672 1.00 1.22 H new ATOM 0 HB2 PHE A 65 -7.588 -4.841 -6.800 1.00 1.47 H new ATOM 0 HB3 PHE A 65 -6.425 -6.115 -7.109 1.00 1.47 H new ATOM 0 HD1 PHE A 65 -5.824 -6.609 -9.570 1.00 1.98 H new ATOM 0 HD2 PHE A 65 -7.869 -3.087 -8.326 1.00 1.67 H new ATOM 0 HE1 PHE A 65 -5.169 -5.493 -11.657 1.00 2.59 H new ATOM 0 HE2 PHE A 65 -7.215 -1.968 -10.413 1.00 2.44 H new ATOM 0 HZ PHE A 65 -5.864 -3.171 -12.083 1.00 2.81 H new ATOM 1039 N SER A 66 -9.723 -6.164 -9.716 1.00 1.20 N ATOM 1040 CA SER A 66 -10.838 -5.620 -10.490 1.00 1.24 C ATOM 1041 C SER A 66 -12.015 -6.598 -10.576 1.00 1.13 C ATOM 1042 O SER A 66 -13.177 -6.189 -10.545 1.00 1.16 O ATOM 1043 CB SER A 66 -10.383 -5.249 -11.886 1.00 1.45 C ATOM 1044 OG SER A 66 -9.335 -4.294 -11.857 1.00 2.19 O ATOM 0 H SER A 66 -9.046 -6.696 -10.263 1.00 1.20 H new ATOM 0 HA SER A 66 -11.182 -4.728 -9.967 1.00 1.24 H new ATOM 0 HB2 SER A 66 -10.046 -6.144 -12.409 1.00 1.45 H new ATOM 0 HB3 SER A 66 -11.226 -4.848 -12.449 1.00 1.45 H new ATOM 0 HG SER A 66 -8.897 -4.316 -10.981 1.00 2.19 H new ATOM 1050 N ASP A 67 -11.714 -7.888 -10.678 1.00 1.09 N ATOM 1051 CA ASP A 67 -12.746 -8.905 -10.883 1.00 1.08 C ATOM 1052 C ASP A 67 -13.400 -9.316 -9.576 1.00 0.97 C ATOM 1053 O ASP A 67 -14.524 -9.822 -9.569 1.00 1.01 O ATOM 1054 CB ASP A 67 -12.161 -10.158 -11.538 1.00 1.18 C ATOM 1055 CG ASP A 67 -11.850 -9.979 -13.005 1.00 1.86 C ATOM 1056 OD1 ASP A 67 -10.750 -9.498 -13.335 1.00 2.72 O ATOM 1057 OD2 ASP A 67 -12.718 -10.284 -13.838 1.00 2.06 O ATOM 0 H ASP A 67 -10.765 -8.257 -10.622 1.00 1.09 H new ATOM 0 HA ASP A 67 -13.494 -8.455 -11.536 1.00 1.08 H new ATOM 0 HB2 ASP A 67 -11.249 -10.441 -11.013 1.00 1.18 H new ATOM 0 HB3 ASP A 67 -12.865 -10.982 -11.421 1.00 1.18 H new ATOM 1062 N LEU A 68 -12.692 -9.113 -8.474 1.00 0.89 N ATOM 1063 CA LEU A 68 -13.120 -9.619 -7.184 1.00 0.85 C ATOM 1064 C LEU A 68 -14.457 -9.058 -6.719 1.00 0.76 C ATOM 1065 O LEU A 68 -15.066 -9.629 -5.815 1.00 0.77 O ATOM 1066 CB LEU A 68 -12.045 -9.392 -6.127 1.00 0.91 C ATOM 1067 CG LEU A 68 -10.783 -10.236 -6.323 1.00 1.06 C ATOM 1068 CD1 LEU A 68 -9.861 -10.093 -5.135 1.00 1.54 C ATOM 1069 CD2 LEU A 68 -11.134 -11.694 -6.559 1.00 1.56 C ATOM 0 H LEU A 68 -11.812 -8.597 -8.451 1.00 0.89 H new ATOM 0 HA LEU A 68 -13.271 -10.690 -7.319 1.00 0.85 H new ATOM 0 HB2 LEU A 68 -11.767 -8.338 -6.128 1.00 0.91 H new ATOM 0 HB3 LEU A 68 -12.465 -9.610 -5.145 1.00 0.91 H new ATOM 0 HG LEU A 68 -10.264 -9.869 -7.208 1.00 1.06 H new ATOM 0 HD11 LEU A 68 -8.969 -10.700 -5.292 1.00 1.54 H new ATOM 0 HD12 LEU A 68 -9.573 -9.048 -5.021 1.00 1.54 H new ATOM 0 HD13 LEU A 68 -10.374 -10.428 -4.234 1.00 1.54 H new ATOM 0 HD21 LEU A 68 -10.219 -12.271 -6.695 1.00 1.56 H new ATOM 0 HD22 LEU A 68 -11.682 -12.080 -5.700 1.00 1.56 H new ATOM 0 HD23 LEU A 68 -11.753 -11.779 -7.452 1.00 1.56 H new ATOM 1081 N THR A 69 -14.919 -7.973 -7.342 1.00 0.70 N ATOM 1082 CA THR A 69 -16.169 -7.318 -6.949 1.00 0.62 C ATOM 1083 C THR A 69 -17.305 -8.332 -6.781 1.00 0.63 C ATOM 1084 O THR A 69 -18.217 -8.132 -5.979 1.00 0.60 O ATOM 1085 CB THR A 69 -16.598 -6.259 -7.986 1.00 0.62 C ATOM 1086 OG1 THR A 69 -16.623 -6.832 -9.300 1.00 0.69 O ATOM 1087 CG2 THR A 69 -15.665 -5.062 -7.978 1.00 0.63 C ATOM 0 H THR A 69 -14.443 -7.526 -8.126 1.00 0.70 H new ATOM 0 HA THR A 69 -15.978 -6.831 -5.993 1.00 0.62 H new ATOM 0 HB THR A 69 -17.597 -5.920 -7.713 1.00 0.62 H new ATOM 0 HG1 THR A 69 -16.898 -6.151 -9.949 1.00 0.69 H new ATOM 0 HG21 THR A 69 -15.997 -4.337 -8.721 1.00 0.63 H new ATOM 0 HG22 THR A 69 -15.674 -4.601 -6.991 1.00 0.63 H new ATOM 0 HG23 THR A 69 -14.653 -5.388 -8.217 1.00 0.63 H new ATOM 1095 N SER A 70 -17.223 -9.421 -7.537 1.00 0.72 N ATOM 1096 CA SER A 70 -18.166 -10.523 -7.436 1.00 0.80 C ATOM 1097 C SER A 70 -18.279 -11.024 -5.990 1.00 0.76 C ATOM 1098 O SER A 70 -19.360 -10.998 -5.395 1.00 0.76 O ATOM 1099 CB SER A 70 -17.696 -11.657 -8.348 1.00 0.96 C ATOM 1100 OG SER A 70 -18.650 -12.702 -8.417 1.00 1.34 O ATOM 0 H SER A 70 -16.497 -9.563 -8.239 1.00 0.72 H new ATOM 0 HA SER A 70 -19.152 -10.176 -7.745 1.00 0.80 H new ATOM 0 HB2 SER A 70 -17.511 -11.266 -9.349 1.00 0.96 H new ATOM 0 HB3 SER A 70 -16.749 -12.052 -7.980 1.00 0.96 H new ATOM 0 HG SER A 70 -18.319 -13.409 -9.009 1.00 1.34 H new ATOM 1106 N GLN A 71 -17.149 -11.465 -5.438 1.00 0.77 N ATOM 1107 CA GLN A 71 -17.063 -11.984 -4.085 1.00 0.77 C ATOM 1108 C GLN A 71 -17.609 -11.001 -3.069 1.00 0.67 C ATOM 1109 O GLN A 71 -18.401 -11.355 -2.194 1.00 0.74 O ATOM 1110 CB GLN A 71 -15.596 -12.237 -3.744 1.00 0.81 C ATOM 1111 CG GLN A 71 -14.925 -13.349 -4.520 1.00 0.99 C ATOM 1112 CD GLN A 71 -15.033 -13.222 -6.016 1.00 1.09 C ATOM 1113 OE1 GLN A 71 -14.197 -12.377 -6.565 1.00 1.31 O flip ATOM 1114 NE2 GLN A 71 -15.893 -13.823 -6.656 1.00 1.42 N flip ATOM 0 H GLN A 71 -16.256 -11.469 -5.932 1.00 0.77 H new ATOM 0 HA GLN A 71 -17.653 -12.900 -4.043 1.00 0.77 H new ATOM 0 HB2 GLN A 71 -15.039 -11.315 -3.911 1.00 0.81 H new ATOM 0 HB3 GLN A 71 -15.523 -12.466 -2.681 1.00 0.81 H new ATOM 0 HG2 GLN A 71 -13.870 -13.380 -4.246 1.00 0.99 H new ATOM 0 HG3 GLN A 71 -15.361 -14.301 -4.217 1.00 0.99 H new ATOM 0 HE21 GLN A 71 -16.521 -14.472 -6.182 1.00 1.42 H new ATOM 0 HE22 GLN A 71 -15.978 -13.673 -7.661 1.00 1.42 H new ATOM 1123 N LEU A 72 -17.169 -9.766 -3.194 1.00 0.59 N ATOM 1124 CA LEU A 72 -17.388 -8.771 -2.166 1.00 0.55 C ATOM 1125 C LEU A 72 -18.781 -8.159 -2.254 1.00 0.47 C ATOM 1126 O LEU A 72 -19.336 -7.735 -1.240 1.00 0.48 O ATOM 1127 CB LEU A 72 -16.312 -7.694 -2.270 1.00 0.59 C ATOM 1128 CG LEU A 72 -14.882 -8.238 -2.288 1.00 0.76 C ATOM 1129 CD1 LEU A 72 -14.201 -7.931 -3.608 1.00 1.37 C ATOM 1130 CD2 LEU A 72 -14.072 -7.684 -1.137 1.00 1.35 C ATOM 0 H LEU A 72 -16.653 -9.426 -4.005 1.00 0.59 H new ATOM 0 HA LEU A 72 -17.321 -9.259 -1.194 1.00 0.55 H new ATOM 0 HB2 LEU A 72 -16.480 -7.114 -3.178 1.00 0.59 H new ATOM 0 HB3 LEU A 72 -16.418 -7.008 -1.430 1.00 0.59 H new ATOM 0 HG LEU A 72 -14.940 -9.320 -2.174 1.00 0.76 H new ATOM 0 HD11 LEU A 72 -13.186 -8.328 -3.595 1.00 1.37 H new ATOM 0 HD12 LEU A 72 -14.761 -8.392 -4.422 1.00 1.37 H new ATOM 0 HD13 LEU A 72 -14.166 -6.852 -3.757 1.00 1.37 H new ATOM 0 HD21 LEU A 72 -13.061 -8.088 -1.176 1.00 1.35 H new ATOM 0 HD22 LEU A 72 -14.031 -6.597 -1.210 1.00 1.35 H new ATOM 0 HD23 LEU A 72 -14.540 -7.967 -0.194 1.00 1.35 H new ATOM 1142 N HIS A 73 -19.341 -8.128 -3.460 1.00 0.48 N ATOM 1143 CA HIS A 73 -20.648 -7.515 -3.690 1.00 0.48 C ATOM 1144 C HIS A 73 -20.556 -6.033 -3.363 1.00 0.43 C ATOM 1145 O HIS A 73 -21.161 -5.532 -2.413 1.00 0.52 O ATOM 1146 CB HIS A 73 -21.737 -8.207 -2.855 1.00 0.55 C ATOM 1147 CG HIS A 73 -23.141 -7.791 -3.187 1.00 1.20 C ATOM 1148 ND1 HIS A 73 -23.853 -6.884 -2.435 1.00 2.06 N ATOM 1149 CD2 HIS A 73 -23.969 -8.177 -4.186 1.00 1.97 C ATOM 1150 CE1 HIS A 73 -25.054 -6.729 -2.954 1.00 2.72 C ATOM 1151 NE2 HIS A 73 -25.152 -7.501 -4.016 1.00 2.62 N ATOM 0 H HIS A 73 -18.909 -8.521 -4.296 1.00 0.48 H new ATOM 0 HA HIS A 73 -20.929 -7.635 -4.736 1.00 0.48 H new ATOM 0 HB2 HIS A 73 -21.650 -9.285 -2.991 1.00 0.55 H new ATOM 0 HB3 HIS A 73 -21.552 -8.003 -1.800 1.00 0.55 H new ATOM 0 HD2 HIS A 73 -23.742 -8.884 -4.970 1.00 1.97 H new ATOM 0 HE1 HIS A 73 -25.827 -6.079 -2.573 1.00 2.72 H new ATOM 0 HE2 HIS A 73 -25.973 -7.584 -4.615 1.00 2.62 H new ATOM 1160 N ILE A 74 -19.743 -5.361 -4.151 1.00 0.45 N ATOM 1161 CA ILE A 74 -19.426 -3.962 -3.951 1.00 0.41 C ATOM 1162 C ILE A 74 -20.650 -3.078 -4.135 1.00 0.49 C ATOM 1163 O ILE A 74 -21.243 -3.021 -5.218 1.00 0.91 O ATOM 1164 CB ILE A 74 -18.323 -3.545 -4.924 1.00 0.38 C ATOM 1165 CG1 ILE A 74 -17.141 -4.503 -4.779 1.00 0.36 C ATOM 1166 CG2 ILE A 74 -17.895 -2.116 -4.652 1.00 0.44 C ATOM 1167 CD1 ILE A 74 -16.353 -4.309 -3.504 1.00 0.39 C ATOM 0 H ILE A 74 -19.278 -5.776 -4.958 1.00 0.45 H new ATOM 0 HA ILE A 74 -19.080 -3.834 -2.925 1.00 0.41 H new ATOM 0 HB ILE A 74 -18.698 -3.593 -5.946 1.00 0.38 H new ATOM 0 HG12 ILE A 74 -17.509 -5.528 -4.815 1.00 0.36 H new ATOM 0 HG13 ILE A 74 -16.474 -4.374 -5.631 1.00 0.36 H new ATOM 0 HG21 ILE A 74 -17.109 -1.832 -5.352 1.00 0.44 H new ATOM 0 HG22 ILE A 74 -18.749 -1.450 -4.776 1.00 0.44 H new ATOM 0 HG23 ILE A 74 -17.518 -2.037 -3.632 1.00 0.44 H new ATOM 0 HD11 ILE A 74 -15.531 -5.024 -3.472 1.00 0.39 H new ATOM 0 HD12 ILE A 74 -15.954 -3.295 -3.474 1.00 0.39 H new ATOM 0 HD13 ILE A 74 -17.005 -4.468 -2.645 1.00 0.39 H new ATOM 1179 N THR A 75 -21.002 -2.390 -3.069 1.00 0.38 N ATOM 1180 CA THR A 75 -22.235 -1.640 -2.986 1.00 0.40 C ATOM 1181 C THR A 75 -21.995 -0.457 -2.017 1.00 0.37 C ATOM 1182 O THR A 75 -20.837 -0.200 -1.683 1.00 0.34 O ATOM 1183 CB THR A 75 -23.350 -2.615 -2.498 1.00 0.46 C ATOM 1184 OG1 THR A 75 -24.629 -2.277 -3.050 1.00 0.51 O ATOM 1185 CG2 THR A 75 -23.443 -2.655 -0.979 1.00 0.46 C ATOM 0 H THR A 75 -20.431 -2.336 -2.225 1.00 0.38 H new ATOM 0 HA THR A 75 -22.553 -1.228 -3.943 1.00 0.40 H new ATOM 0 HB THR A 75 -23.067 -3.606 -2.854 1.00 0.46 H new ATOM 0 HG1 THR A 75 -25.303 -2.909 -2.724 1.00 0.51 H new ATOM 0 HG21 THR A 75 -24.232 -3.346 -0.681 1.00 0.46 H new ATOM 0 HG22 THR A 75 -22.492 -2.990 -0.565 1.00 0.46 H new ATOM 0 HG23 THR A 75 -23.672 -1.658 -0.602 1.00 0.46 H new ATOM 1193 N PRO A 76 -23.038 0.323 -1.630 1.00 0.38 N ATOM 1194 CA PRO A 76 -23.023 1.246 -0.484 1.00 0.37 C ATOM 1195 C PRO A 76 -22.113 0.826 0.679 1.00 0.35 C ATOM 1196 O PRO A 76 -21.635 -0.300 0.727 1.00 0.35 O ATOM 1197 CB PRO A 76 -24.490 1.251 -0.036 1.00 0.42 C ATOM 1198 CG PRO A 76 -25.283 0.695 -1.182 1.00 0.47 C ATOM 1199 CD PRO A 76 -24.322 0.446 -2.314 1.00 0.44 C ATOM 0 HA PRO A 76 -22.619 2.215 -0.776 1.00 0.37 H new ATOM 0 HB2 PRO A 76 -24.625 0.645 0.860 1.00 0.42 H new ATOM 0 HB3 PRO A 76 -24.818 2.261 0.210 1.00 0.42 H new ATOM 0 HG2 PRO A 76 -25.782 -0.230 -0.891 1.00 0.47 H new ATOM 0 HG3 PRO A 76 -26.061 1.395 -1.486 1.00 0.47 H new ATOM 0 HD2 PRO A 76 -24.574 -0.459 -2.866 1.00 0.44 H new ATOM 0 HD3 PRO A 76 -24.321 1.267 -3.031 1.00 0.44 H new ATOM 1207 N GLY A 77 -21.893 1.784 1.594 1.00 0.36 N ATOM 1208 CA GLY A 77 -20.967 1.671 2.736 1.00 0.37 C ATOM 1209 C GLY A 77 -20.729 0.280 3.319 1.00 0.38 C ATOM 1210 O GLY A 77 -19.678 0.037 3.917 1.00 0.40 O ATOM 0 H GLY A 77 -22.368 2.686 1.560 1.00 0.36 H new ATOM 0 HA2 GLY A 77 -20.003 2.075 2.428 1.00 0.37 H new ATOM 0 HA3 GLY A 77 -21.340 2.311 3.536 1.00 0.37 H new ATOM 1214 N THR A 78 -21.675 -0.628 3.168 1.00 0.40 N ATOM 1215 CA THR A 78 -21.506 -1.989 3.635 1.00 0.42 C ATOM 1216 C THR A 78 -20.512 -2.765 2.760 1.00 0.38 C ATOM 1217 O THR A 78 -20.313 -3.968 2.938 1.00 0.40 O ATOM 1218 CB THR A 78 -22.857 -2.709 3.692 1.00 0.49 C ATOM 1219 OG1 THR A 78 -23.532 -2.585 2.433 1.00 0.50 O ATOM 1220 CG2 THR A 78 -23.715 -2.105 4.785 1.00 0.56 C ATOM 0 H THR A 78 -22.574 -0.444 2.722 1.00 0.40 H new ATOM 0 HA THR A 78 -21.093 -1.946 4.643 1.00 0.42 H new ATOM 0 HB THR A 78 -22.686 -3.764 3.906 1.00 0.49 H new ATOM 0 HG1 THR A 78 -24.394 -3.049 2.477 1.00 0.50 H new ATOM 0 HG21 THR A 78 -24.675 -2.621 4.821 1.00 0.56 H new ATOM 0 HG22 THR A 78 -23.210 -2.211 5.745 1.00 0.56 H new ATOM 0 HG23 THR A 78 -23.879 -1.048 4.576 1.00 0.56 H new ATOM 1228 N ALA A 79 -19.870 -2.058 1.828 1.00 0.34 N ATOM 1229 CA ALA A 79 -18.741 -2.603 1.087 1.00 0.31 C ATOM 1230 C ALA A 79 -17.528 -2.684 2.005 1.00 0.30 C ATOM 1231 O ALA A 79 -16.562 -3.393 1.729 1.00 0.31 O ATOM 1232 CB ALA A 79 -18.433 -1.751 -0.141 1.00 0.32 C ATOM 0 H ALA A 79 -20.118 -1.103 1.571 1.00 0.34 H new ATOM 0 HA ALA A 79 -18.995 -3.604 0.738 1.00 0.31 H new ATOM 0 HB1 ALA A 79 -17.586 -2.179 -0.677 1.00 0.32 H new ATOM 0 HB2 ALA A 79 -19.304 -1.729 -0.796 1.00 0.32 H new ATOM 0 HB3 ALA A 79 -18.189 -0.736 0.172 1.00 0.32 H new ATOM 1238 N TYR A 80 -17.602 -1.961 3.120 1.00 0.33 N ATOM 1239 CA TYR A 80 -16.575 -2.034 4.147 1.00 0.36 C ATOM 1240 C TYR A 80 -16.746 -3.324 4.934 1.00 0.36 C ATOM 1241 O TYR A 80 -15.853 -3.749 5.657 1.00 0.38 O ATOM 1242 CB TYR A 80 -16.647 -0.812 5.072 1.00 0.44 C ATOM 1243 CG TYR A 80 -15.590 -0.799 6.157 1.00 1.15 C ATOM 1244 CD1 TYR A 80 -14.245 -0.674 5.838 1.00 1.69 C ATOM 1245 CD2 TYR A 80 -15.940 -0.905 7.498 1.00 2.21 C ATOM 1246 CE1 TYR A 80 -13.276 -0.654 6.823 1.00 2.52 C ATOM 1247 CE2 TYR A 80 -14.976 -0.884 8.490 1.00 3.13 C ATOM 1248 CZ TYR A 80 -13.653 -0.791 8.153 1.00 3.12 C ATOM 1249 OH TYR A 80 -12.681 -0.731 9.132 1.00 4.13 O ATOM 0 H TYR A 80 -18.365 -1.318 3.332 1.00 0.33 H new ATOM 0 HA TYR A 80 -15.592 -2.032 3.677 1.00 0.36 H new ATOM 0 HB2 TYR A 80 -16.548 0.092 4.471 1.00 0.44 H new ATOM 0 HB3 TYR A 80 -17.632 -0.779 5.538 1.00 0.44 H new ATOM 0 HD1 TYR A 80 -13.951 -0.591 4.802 1.00 1.69 H new ATOM 0 HD2 TYR A 80 -16.980 -1.005 7.770 1.00 2.21 H new ATOM 0 HE1 TYR A 80 -12.235 -0.533 6.561 1.00 2.52 H new ATOM 0 HE2 TYR A 80 -15.267 -0.941 9.528 1.00 3.13 H new ATOM 0 HH TYR A 80 -13.096 -0.842 10.013 1.00 4.13 H new ATOM 1259 N GLN A 81 -17.907 -3.945 4.777 1.00 0.37 N ATOM 1260 CA GLN A 81 -18.157 -5.261 5.343 1.00 0.41 C ATOM 1261 C GLN A 81 -17.595 -6.326 4.417 1.00 0.41 C ATOM 1262 O GLN A 81 -17.200 -7.411 4.842 1.00 0.46 O ATOM 1263 CB GLN A 81 -19.651 -5.481 5.552 1.00 0.45 C ATOM 1264 CG GLN A 81 -20.242 -4.658 6.683 1.00 0.58 C ATOM 1265 CD GLN A 81 -21.730 -4.893 6.855 1.00 0.68 C ATOM 1266 OE1 GLN A 81 -22.240 -5.977 6.567 1.00 1.03 O ATOM 1267 NE2 GLN A 81 -22.436 -3.879 7.327 1.00 0.79 N ATOM 0 H GLN A 81 -18.694 -3.555 4.259 1.00 0.37 H new ATOM 0 HA GLN A 81 -17.664 -5.328 6.313 1.00 0.41 H new ATOM 0 HB2 GLN A 81 -20.176 -5.240 4.628 1.00 0.45 H new ATOM 0 HB3 GLN A 81 -19.828 -6.537 5.754 1.00 0.45 H new ATOM 0 HG2 GLN A 81 -19.729 -4.903 7.613 1.00 0.58 H new ATOM 0 HG3 GLN A 81 -20.064 -3.600 6.490 1.00 0.58 H new ATOM 0 HE21 GLN A 81 -21.975 -2.998 7.553 1.00 0.79 H new ATOM 0 HE22 GLN A 81 -23.442 -3.978 7.465 1.00 0.79 H new ATOM 1276 N SER A 82 -17.568 -5.988 3.149 1.00 0.39 N ATOM 1277 CA SER A 82 -16.949 -6.819 2.131 1.00 0.41 C ATOM 1278 C SER A 82 -15.433 -6.766 2.277 1.00 0.41 C ATOM 1279 O SER A 82 -14.768 -7.794 2.387 1.00 0.48 O ATOM 1280 CB SER A 82 -17.360 -6.316 0.751 1.00 0.41 C ATOM 1281 OG SER A 82 -18.747 -6.035 0.713 1.00 0.43 O ATOM 0 H SER A 82 -17.976 -5.125 2.788 1.00 0.39 H new ATOM 0 HA SER A 82 -17.279 -7.851 2.250 1.00 0.41 H new ATOM 0 HB2 SER A 82 -16.795 -5.417 0.503 1.00 0.41 H new ATOM 0 HB3 SER A 82 -17.115 -7.065 -0.002 1.00 0.41 H new ATOM 0 HG SER A 82 -19.173 -6.584 0.023 1.00 0.43 H new ATOM 1287 N PHE A 83 -14.901 -5.548 2.297 1.00 0.38 N ATOM 1288 CA PHE A 83 -13.479 -5.327 2.522 1.00 0.37 C ATOM 1289 C PHE A 83 -13.089 -5.769 3.933 1.00 0.38 C ATOM 1290 O PHE A 83 -11.919 -6.013 4.229 1.00 0.39 O ATOM 1291 CB PHE A 83 -13.134 -3.849 2.291 1.00 0.36 C ATOM 1292 CG PHE A 83 -11.707 -3.500 2.601 1.00 0.56 C ATOM 1293 CD1 PHE A 83 -10.679 -3.933 1.777 1.00 0.79 C ATOM 1294 CD2 PHE A 83 -11.394 -2.730 3.710 1.00 0.75 C ATOM 1295 CE1 PHE A 83 -9.368 -3.605 2.055 1.00 1.07 C ATOM 1296 CE2 PHE A 83 -10.084 -2.401 3.993 1.00 1.05 C ATOM 1297 CZ PHE A 83 -9.065 -2.876 3.184 1.00 1.18 C ATOM 0 H PHE A 83 -15.440 -4.693 2.159 1.00 0.38 H new ATOM 0 HA PHE A 83 -12.909 -5.927 1.812 1.00 0.37 H new ATOM 0 HB2 PHE A 83 -13.342 -3.596 1.251 1.00 0.36 H new ATOM 0 HB3 PHE A 83 -13.790 -3.233 2.906 1.00 0.36 H new ATOM 0 HD1 PHE A 83 -10.907 -4.533 0.909 1.00 0.79 H new ATOM 0 HD2 PHE A 83 -12.184 -2.384 4.360 1.00 0.75 H new ATOM 0 HE1 PHE A 83 -8.579 -3.920 1.388 1.00 1.07 H new ATOM 0 HE2 PHE A 83 -9.854 -1.775 4.843 1.00 1.05 H new ATOM 0 HZ PHE A 83 -8.035 -2.675 3.438 1.00 1.18 H new ATOM 1307 N GLU A 84 -14.088 -5.883 4.797 1.00 0.41 N ATOM 1308 CA GLU A 84 -13.886 -6.333 6.165 1.00 0.48 C ATOM 1309 C GLU A 84 -13.308 -7.728 6.181 1.00 0.52 C ATOM 1310 O GLU A 84 -12.368 -8.014 6.910 1.00 0.55 O ATOM 1311 CB GLU A 84 -15.207 -6.350 6.911 1.00 0.55 C ATOM 1312 CG GLU A 84 -15.081 -6.783 8.348 1.00 0.62 C ATOM 1313 CD GLU A 84 -16.363 -6.602 9.127 1.00 0.71 C ATOM 1314 OE1 GLU A 84 -17.276 -7.434 8.969 1.00 0.78 O ATOM 1315 OE2 GLU A 84 -16.466 -5.622 9.895 1.00 0.80 O ATOM 0 H GLU A 84 -15.058 -5.667 4.569 1.00 0.41 H new ATOM 0 HA GLU A 84 -13.195 -5.643 6.649 1.00 0.48 H new ATOM 0 HB2 GLU A 84 -15.647 -5.353 6.878 1.00 0.55 H new ATOM 0 HB3 GLU A 84 -15.897 -7.020 6.397 1.00 0.55 H new ATOM 0 HG2 GLU A 84 -14.785 -7.831 8.382 1.00 0.62 H new ATOM 0 HG3 GLU A 84 -14.286 -6.211 8.827 1.00 0.62 H new ATOM 1322 N GLN A 85 -13.910 -8.585 5.377 1.00 0.57 N ATOM 1323 CA GLN A 85 -13.466 -9.964 5.204 1.00 0.65 C ATOM 1324 C GLN A 85 -11.974 -10.020 4.939 1.00 0.64 C ATOM 1325 O GLN A 85 -11.279 -10.935 5.380 1.00 0.71 O ATOM 1326 CB GLN A 85 -14.219 -10.591 4.034 1.00 0.69 C ATOM 1327 CG GLN A 85 -15.717 -10.458 4.171 1.00 0.79 C ATOM 1328 CD GLN A 85 -16.494 -11.122 3.047 1.00 1.13 C ATOM 1329 OE1 GLN A 85 -16.032 -11.198 1.909 1.00 1.44 O ATOM 1330 NE2 GLN A 85 -17.679 -11.617 3.365 1.00 1.62 N ATOM 0 H GLN A 85 -14.729 -8.345 4.818 1.00 0.57 H new ATOM 0 HA GLN A 85 -13.673 -10.518 6.120 1.00 0.65 H new ATOM 0 HB2 GLN A 85 -13.899 -10.118 3.105 1.00 0.69 H new ATOM 0 HB3 GLN A 85 -13.957 -11.646 3.961 1.00 0.69 H new ATOM 0 HG2 GLN A 85 -16.026 -10.893 5.121 1.00 0.79 H new ATOM 0 HG3 GLN A 85 -15.977 -9.400 4.205 1.00 0.79 H new ATOM 0 HE21 GLN A 85 -18.027 -11.534 4.320 1.00 1.62 H new ATOM 0 HE22 GLN A 85 -18.245 -12.082 2.655 1.00 1.62 H new ATOM 1339 N VAL A 86 -11.495 -9.015 4.235 1.00 0.58 N ATOM 1340 CA VAL A 86 -10.101 -8.933 3.870 1.00 0.62 C ATOM 1341 C VAL A 86 -9.278 -8.355 5.006 1.00 0.55 C ATOM 1342 O VAL A 86 -8.314 -8.952 5.455 1.00 0.59 O ATOM 1343 CB VAL A 86 -9.901 -8.048 2.645 1.00 0.70 C ATOM 1344 CG1 VAL A 86 -8.675 -8.524 1.904 1.00 1.13 C ATOM 1345 CG2 VAL A 86 -11.141 -8.045 1.765 1.00 1.30 C ATOM 0 H VAL A 86 -12.062 -8.235 3.902 1.00 0.58 H new ATOM 0 HA VAL A 86 -9.773 -9.948 3.648 1.00 0.62 H new ATOM 0 HB VAL A 86 -9.745 -7.014 2.953 1.00 0.70 H new ATOM 0 HG11 VAL A 86 -8.517 -7.901 1.024 1.00 1.13 H new ATOM 0 HG12 VAL A 86 -7.805 -8.456 2.558 1.00 1.13 H new ATOM 0 HG13 VAL A 86 -8.816 -9.560 1.595 1.00 1.13 H new ATOM 0 HG21 VAL A 86 -10.971 -7.406 0.899 1.00 1.30 H new ATOM 0 HG22 VAL A 86 -11.352 -9.061 1.431 1.00 1.30 H new ATOM 0 HG23 VAL A 86 -11.990 -7.666 2.334 1.00 1.30 H new ATOM 1355 N VAL A 87 -9.664 -7.187 5.479 1.00 0.51 N ATOM 1356 CA VAL A 87 -8.915 -6.527 6.536 1.00 0.51 C ATOM 1357 C VAL A 87 -8.892 -7.413 7.779 1.00 0.56 C ATOM 1358 O VAL A 87 -7.983 -7.341 8.603 1.00 0.60 O ATOM 1359 CB VAL A 87 -9.510 -5.141 6.867 1.00 0.54 C ATOM 1360 CG1 VAL A 87 -10.835 -5.254 7.607 1.00 0.75 C ATOM 1361 CG2 VAL A 87 -8.516 -4.313 7.655 1.00 0.85 C ATOM 0 H VAL A 87 -10.485 -6.677 5.153 1.00 0.51 H new ATOM 0 HA VAL A 87 -7.894 -6.369 6.188 1.00 0.51 H new ATOM 0 HB VAL A 87 -9.714 -4.635 5.923 1.00 0.54 H new ATOM 0 HG11 VAL A 87 -11.219 -4.256 7.820 1.00 0.75 H new ATOM 0 HG12 VAL A 87 -11.552 -5.794 6.989 1.00 0.75 H new ATOM 0 HG13 VAL A 87 -10.684 -5.793 8.543 1.00 0.75 H new ATOM 0 HG21 VAL A 87 -8.951 -3.339 7.880 1.00 0.85 H new ATOM 0 HG22 VAL A 87 -8.272 -4.825 8.586 1.00 0.85 H new ATOM 0 HG23 VAL A 87 -7.608 -4.178 7.067 1.00 0.85 H new ATOM 1371 N ASN A 88 -9.905 -8.262 7.875 1.00 0.61 N ATOM 1372 CA ASN A 88 -9.964 -9.300 8.884 1.00 0.71 C ATOM 1373 C ASN A 88 -8.812 -10.274 8.721 1.00 0.78 C ATOM 1374 O ASN A 88 -8.018 -10.452 9.643 1.00 0.91 O ATOM 1375 CB ASN A 88 -11.283 -10.052 8.790 1.00 0.73 C ATOM 1376 CG ASN A 88 -12.206 -9.731 9.941 1.00 0.78 C ATOM 1377 OD1 ASN A 88 -13.055 -8.737 9.758 1.00 0.87 O flip ATOM 1378 ND2 ASN A 88 -12.157 -10.373 10.989 1.00 0.73 N flip ATOM 0 H ASN A 88 -10.711 -8.247 7.250 1.00 0.61 H new ATOM 0 HA ASN A 88 -9.888 -8.826 9.862 1.00 0.71 H new ATOM 0 HB2 ASN A 88 -11.776 -9.802 7.851 1.00 0.73 H new ATOM 0 HB3 ASN A 88 -11.087 -11.124 8.771 1.00 0.73 H new ATOM 0 HD21 ASN A 88 -11.486 -11.134 11.090 1.00 0.73 H new ATOM 0 HD22 ASN A 88 -12.788 -10.144 11.757 1.00 0.73 H new ATOM 1385 N GLU A 89 -8.691 -10.876 7.534 1.00 0.75 N ATOM 1386 CA GLU A 89 -7.680 -11.892 7.303 1.00 0.84 C ATOM 1387 C GLU A 89 -6.322 -11.264 7.489 1.00 0.82 C ATOM 1388 O GLU A 89 -5.404 -11.858 8.062 1.00 0.98 O ATOM 1389 CB GLU A 89 -7.817 -12.527 5.890 1.00 0.87 C ATOM 1390 CG GLU A 89 -7.729 -11.571 4.706 1.00 1.25 C ATOM 1391 CD GLU A 89 -6.316 -11.255 4.265 1.00 2.21 C ATOM 1392 OE1 GLU A 89 -5.386 -11.626 4.994 1.00 2.58 O ATOM 1393 OE2 GLU A 89 -6.130 -10.625 3.201 1.00 2.87 O ATOM 0 H GLU A 89 -9.281 -10.673 6.727 1.00 0.75 H new ATOM 0 HA GLU A 89 -7.813 -12.702 8.020 1.00 0.84 H new ATOM 0 HB2 GLU A 89 -7.039 -13.282 5.778 1.00 0.87 H new ATOM 0 HB3 GLU A 89 -8.774 -13.046 5.840 1.00 0.87 H new ATOM 0 HG2 GLU A 89 -8.272 -12.002 3.865 1.00 1.25 H new ATOM 0 HG3 GLU A 89 -8.232 -10.640 4.967 1.00 1.25 H new ATOM 1400 N LEU A 90 -6.252 -10.019 7.063 1.00 0.69 N ATOM 1401 CA LEU A 90 -5.010 -9.312 6.957 1.00 0.64 C ATOM 1402 C LEU A 90 -4.426 -8.963 8.316 1.00 0.70 C ATOM 1403 O LEU A 90 -3.216 -8.796 8.446 1.00 0.80 O ATOM 1404 CB LEU A 90 -5.216 -8.066 6.111 1.00 0.56 C ATOM 1405 CG LEU A 90 -5.229 -8.352 4.612 1.00 0.67 C ATOM 1406 CD1 LEU A 90 -5.807 -7.200 3.845 1.00 1.25 C ATOM 1407 CD2 LEU A 90 -3.838 -8.682 4.091 1.00 1.28 C ATOM 0 H LEU A 90 -7.066 -9.473 6.781 1.00 0.69 H new ATOM 0 HA LEU A 90 -4.284 -9.965 6.473 1.00 0.64 H new ATOM 0 HB2 LEU A 90 -6.158 -7.595 6.393 1.00 0.56 H new ATOM 0 HB3 LEU A 90 -4.424 -7.350 6.331 1.00 0.56 H new ATOM 0 HG LEU A 90 -5.864 -9.225 4.460 1.00 0.67 H new ATOM 0 HD11 LEU A 90 -5.803 -7.433 2.780 1.00 1.25 H new ATOM 0 HD12 LEU A 90 -6.831 -7.021 4.173 1.00 1.25 H new ATOM 0 HD13 LEU A 90 -5.208 -6.307 4.023 1.00 1.25 H new ATOM 0 HD21 LEU A 90 -3.888 -8.880 3.020 1.00 1.28 H new ATOM 0 HD22 LEU A 90 -3.172 -7.839 4.274 1.00 1.28 H new ATOM 0 HD23 LEU A 90 -3.457 -9.564 4.605 1.00 1.28 H new ATOM 1419 N PHE A 91 -5.281 -8.876 9.334 1.00 0.73 N ATOM 1420 CA PHE A 91 -4.821 -8.468 10.656 1.00 0.82 C ATOM 1421 C PHE A 91 -4.783 -9.646 11.623 1.00 0.91 C ATOM 1422 O PHE A 91 -4.038 -9.639 12.604 1.00 1.06 O ATOM 1423 CB PHE A 91 -5.690 -7.326 11.223 1.00 0.88 C ATOM 1424 CG PHE A 91 -6.839 -7.764 12.098 1.00 1.04 C ATOM 1425 CD1 PHE A 91 -8.065 -8.099 11.550 1.00 1.70 C ATOM 1426 CD2 PHE A 91 -6.689 -7.826 13.476 1.00 1.26 C ATOM 1427 CE1 PHE A 91 -9.118 -8.490 12.355 1.00 2.30 C ATOM 1428 CE2 PHE A 91 -7.737 -8.219 14.286 1.00 1.75 C ATOM 1429 CZ PHE A 91 -8.954 -8.552 13.724 1.00 2.23 C ATOM 0 H PHE A 91 -6.279 -9.079 9.270 1.00 0.73 H new ATOM 0 HA PHE A 91 -3.803 -8.095 10.543 1.00 0.82 H new ATOM 0 HB2 PHE A 91 -5.051 -6.657 11.799 1.00 0.88 H new ATOM 0 HB3 PHE A 91 -6.089 -6.747 10.390 1.00 0.88 H new ATOM 0 HD1 PHE A 91 -8.200 -8.054 10.479 1.00 1.70 H new ATOM 0 HD2 PHE A 91 -5.741 -7.564 13.921 1.00 1.26 H new ATOM 0 HE1 PHE A 91 -10.069 -8.747 11.913 1.00 2.30 H new ATOM 0 HE2 PHE A 91 -7.605 -8.266 15.357 1.00 1.75 H new ATOM 0 HZ PHE A 91 -9.775 -8.860 14.354 1.00 2.23 H new ATOM 1439 N ARG A 92 -5.570 -10.665 11.339 1.00 0.96 N ATOM 1440 CA ARG A 92 -5.728 -11.770 12.269 1.00 1.11 C ATOM 1441 C ARG A 92 -4.675 -12.847 12.048 1.00 0.83 C ATOM 1442 O ARG A 92 -4.110 -13.380 12.998 1.00 0.90 O ATOM 1443 CB ARG A 92 -7.122 -12.373 12.110 1.00 1.53 C ATOM 1444 CG ARG A 92 -7.285 -13.181 10.839 1.00 1.62 C ATOM 1445 CD ARG A 92 -8.720 -13.224 10.379 1.00 2.21 C ATOM 1446 NE ARG A 92 -9.535 -14.151 11.158 1.00 3.27 N ATOM 1447 CZ ARG A 92 -10.672 -14.687 10.718 1.00 4.05 C ATOM 1448 NH1 ARG A 92 -11.108 -14.411 9.495 1.00 3.96 N ATOM 1449 NH2 ARG A 92 -11.364 -15.507 11.498 1.00 5.06 N ATOM 0 H ARG A 92 -6.108 -10.753 10.477 1.00 0.96 H new ATOM 0 HA ARG A 92 -5.600 -11.382 13.279 1.00 1.11 H new ATOM 0 HB2 ARG A 92 -7.334 -13.011 12.968 1.00 1.53 H new ATOM 0 HB3 ARG A 92 -7.860 -11.571 12.119 1.00 1.53 H new ATOM 0 HG2 ARG A 92 -6.665 -12.750 10.053 1.00 1.62 H new ATOM 0 HG3 ARG A 92 -6.927 -14.197 11.006 1.00 1.62 H new ATOM 0 HD2 ARG A 92 -9.149 -12.224 10.447 1.00 2.21 H new ATOM 0 HD3 ARG A 92 -8.752 -13.513 9.329 1.00 2.21 H new ATOM 0 HE ARG A 92 -9.215 -14.403 12.093 1.00 3.27 H new ATOM 0 HH11 ARG A 92 -10.572 -13.788 8.891 1.00 3.96 H new ATOM 0 HH12 ARG A 92 -11.979 -14.822 9.159 1.00 3.96 H new ATOM 0 HH21 ARG A 92 -11.025 -15.727 12.435 1.00 5.06 H new ATOM 0 HH22 ARG A 92 -12.235 -15.918 11.161 1.00 5.06 H new ATOM 1463 N ASP A 93 -4.401 -13.144 10.790 1.00 0.84 N ATOM 1464 CA ASP A 93 -3.657 -14.346 10.447 1.00 1.10 C ATOM 1465 C ASP A 93 -2.187 -14.066 10.142 1.00 1.31 C ATOM 1466 O ASP A 93 -1.515 -14.901 9.540 1.00 1.88 O ATOM 1467 CB ASP A 93 -4.322 -15.033 9.245 1.00 1.65 C ATOM 1468 CG ASP A 93 -3.930 -16.492 9.107 1.00 2.40 C ATOM 1469 OD1 ASP A 93 -4.329 -17.311 9.957 1.00 2.58 O ATOM 1470 OD2 ASP A 93 -3.211 -16.827 8.143 1.00 3.12 O ATOM 0 H ASP A 93 -4.680 -12.574 9.992 1.00 0.84 H new ATOM 0 HA ASP A 93 -3.678 -15.002 11.317 1.00 1.10 H new ATOM 0 HB2 ASP A 93 -5.405 -14.961 9.345 1.00 1.65 H new ATOM 0 HB3 ASP A 93 -4.050 -14.501 8.333 1.00 1.65 H new ATOM 1475 N GLY A 94 -1.660 -12.918 10.556 1.00 1.11 N ATOM 1476 CA GLY A 94 -0.255 -12.692 10.292 1.00 1.69 C ATOM 1477 C GLY A 94 0.063 -11.368 9.627 1.00 1.62 C ATOM 1478 O GLY A 94 0.436 -11.355 8.458 1.00 2.31 O ATOM 0 H GLY A 94 -2.154 -12.173 11.047 1.00 1.11 H new ATOM 0 HA2 GLY A 94 0.291 -12.750 11.234 1.00 1.69 H new ATOM 0 HA3 GLY A 94 0.115 -13.498 9.659 1.00 1.69 H new ATOM 1482 N VAL A 95 -0.095 -10.253 10.331 1.00 0.85 N ATOM 1483 CA VAL A 95 0.217 -8.952 9.736 1.00 0.67 C ATOM 1484 C VAL A 95 1.716 -8.795 9.563 1.00 0.62 C ATOM 1485 O VAL A 95 2.458 -8.602 10.520 1.00 0.61 O ATOM 1486 CB VAL A 95 -0.260 -7.762 10.605 1.00 0.59 C ATOM 1487 CG1 VAL A 95 0.085 -6.432 9.941 1.00 0.84 C ATOM 1488 CG2 VAL A 95 -1.738 -7.845 10.898 1.00 1.06 C ATOM 0 H VAL A 95 -0.430 -10.218 11.294 1.00 0.85 H new ATOM 0 HA VAL A 95 -0.306 -8.933 8.780 1.00 0.67 H new ATOM 0 HB VAL A 95 0.268 -7.819 11.557 1.00 0.59 H new ATOM 0 HG11 VAL A 95 -0.260 -5.611 10.570 1.00 0.84 H new ATOM 0 HG12 VAL A 95 1.165 -6.360 9.810 1.00 0.84 H new ATOM 0 HG13 VAL A 95 -0.403 -6.374 8.968 1.00 0.84 H new ATOM 0 HG21 VAL A 95 -2.036 -6.993 11.510 1.00 1.06 H new ATOM 0 HG22 VAL A 95 -2.296 -7.832 9.962 1.00 1.06 H new ATOM 0 HG23 VAL A 95 -1.951 -8.770 11.435 1.00 1.06 H new ATOM 1498 N ASN A 96 2.151 -8.942 8.331 1.00 0.76 N ATOM 1499 CA ASN A 96 3.544 -8.753 7.974 1.00 0.86 C ATOM 1500 C ASN A 96 3.656 -7.501 7.128 1.00 0.72 C ATOM 1501 O ASN A 96 2.657 -6.803 6.926 1.00 0.62 O ATOM 1502 CB ASN A 96 4.088 -9.966 7.201 1.00 1.17 C ATOM 1503 CG ASN A 96 4.098 -11.254 8.014 1.00 1.47 C ATOM 1504 OD1 ASN A 96 3.153 -11.391 8.927 1.00 2.12 O flip ATOM 1505 ND2 ASN A 96 4.946 -12.121 7.811 1.00 1.67 N flip ATOM 0 H ASN A 96 1.551 -9.196 7.547 1.00 0.76 H new ATOM 0 HA ASN A 96 4.138 -8.650 8.882 1.00 0.86 H new ATOM 0 HB2 ASN A 96 3.484 -10.116 6.306 1.00 1.17 H new ATOM 0 HB3 ASN A 96 5.103 -9.749 6.868 1.00 1.17 H new ATOM 0 HD21 ASN A 96 5.660 -11.979 7.097 1.00 1.67 H new ATOM 0 HD22 ASN A 96 4.935 -12.983 8.357 1.00 1.67 H new ATOM 1512 N TRP A 97 4.848 -7.225 6.624 1.00 0.77 N ATOM 1513 CA TRP A 97 5.067 -6.069 5.766 1.00 0.72 C ATOM 1514 C TRP A 97 4.101 -6.097 4.584 1.00 0.63 C ATOM 1515 O TRP A 97 3.433 -5.106 4.287 1.00 0.59 O ATOM 1516 CB TRP A 97 6.513 -6.051 5.258 1.00 0.86 C ATOM 1517 CG TRP A 97 7.541 -6.021 6.353 1.00 0.68 C ATOM 1518 CD1 TRP A 97 8.103 -4.913 6.921 1.00 0.83 C ATOM 1519 CD2 TRP A 97 8.132 -7.151 7.008 1.00 1.43 C ATOM 1520 NE1 TRP A 97 9.008 -5.286 7.888 1.00 0.99 N ATOM 1521 CE2 TRP A 97 9.041 -6.654 7.960 1.00 1.60 C ATOM 1522 CE3 TRP A 97 7.979 -8.536 6.883 1.00 2.29 C ATOM 1523 CZ2 TRP A 97 9.793 -7.491 8.780 1.00 2.54 C ATOM 1524 CZ3 TRP A 97 8.726 -9.366 7.697 1.00 3.24 C ATOM 1525 CH2 TRP A 97 9.623 -8.840 8.635 1.00 3.34 C ATOM 0 H TRP A 97 5.682 -7.787 6.794 1.00 0.77 H new ATOM 0 HA TRP A 97 4.886 -5.166 6.349 1.00 0.72 H new ATOM 0 HB2 TRP A 97 6.681 -6.932 4.639 1.00 0.86 H new ATOM 0 HB3 TRP A 97 6.652 -5.180 4.618 1.00 0.86 H new ATOM 0 HD1 TRP A 97 7.871 -3.893 6.651 1.00 0.83 H new ATOM 0 HE1 TRP A 97 9.564 -4.648 8.458 1.00 0.99 H new ATOM 0 HE3 TRP A 97 7.289 -8.949 6.163 1.00 2.29 H new ATOM 0 HZ2 TRP A 97 10.486 -7.089 9.505 1.00 2.54 H new ATOM 0 HZ3 TRP A 97 8.616 -10.437 7.608 1.00 3.24 H new ATOM 0 HH2 TRP A 97 10.193 -9.514 9.257 1.00 3.34 H new ATOM 1536 N GLY A 98 4.003 -7.259 3.946 1.00 0.69 N ATOM 1537 CA GLY A 98 3.173 -7.410 2.764 1.00 0.69 C ATOM 1538 C GLY A 98 1.683 -7.324 3.047 1.00 0.62 C ATOM 1539 O GLY A 98 0.918 -6.875 2.197 1.00 0.61 O ATOM 0 H GLY A 98 4.490 -8.109 4.231 1.00 0.69 H new ATOM 0 HA2 GLY A 98 3.441 -6.639 2.042 1.00 0.69 H new ATOM 0 HA3 GLY A 98 3.390 -8.372 2.299 1.00 0.69 H new ATOM 1543 N ARG A 99 1.265 -7.741 4.238 1.00 0.65 N ATOM 1544 CA ARG A 99 -0.158 -7.737 4.586 1.00 0.67 C ATOM 1545 C ARG A 99 -0.710 -6.327 4.576 1.00 0.53 C ATOM 1546 O ARG A 99 -1.848 -6.088 4.180 1.00 0.55 O ATOM 1547 CB ARG A 99 -0.399 -8.368 5.959 1.00 0.82 C ATOM 1548 CG ARG A 99 -0.148 -9.858 5.974 1.00 1.04 C ATOM 1549 CD ARG A 99 -0.973 -10.549 4.910 1.00 1.50 C ATOM 1550 NE ARG A 99 -2.192 -11.162 5.426 1.00 2.48 N ATOM 1551 CZ ARG A 99 -2.238 -12.382 5.949 1.00 3.32 C ATOM 1552 NH1 ARG A 99 -1.117 -13.063 6.170 1.00 3.44 N ATOM 1553 NH2 ARG A 99 -3.406 -12.922 6.256 1.00 4.24 N ATOM 0 H ARG A 99 1.882 -8.084 4.974 1.00 0.65 H new ATOM 0 HA ARG A 99 -0.676 -8.332 3.833 1.00 0.67 H new ATOM 0 HB2 ARG A 99 0.249 -7.888 6.692 1.00 0.82 H new ATOM 0 HB3 ARG A 99 -1.427 -8.175 6.267 1.00 0.82 H new ATOM 0 HG2 ARG A 99 0.911 -10.055 5.806 1.00 1.04 H new ATOM 0 HG3 ARG A 99 -0.396 -10.264 6.955 1.00 1.04 H new ATOM 0 HD2 ARG A 99 -1.238 -9.825 4.140 1.00 1.50 H new ATOM 0 HD3 ARG A 99 -0.365 -11.316 4.431 1.00 1.50 H new ATOM 0 HE ARG A 99 -3.057 -10.624 5.383 1.00 2.48 H new ATOM 0 HH11 ARG A 99 -0.214 -12.649 5.938 1.00 3.44 H new ATOM 0 HH12 ARG A 99 -1.160 -13.999 6.572 1.00 3.44 H new ATOM 0 HH21 ARG A 99 -4.268 -12.402 6.091 1.00 4.24 H new ATOM 0 HH22 ARG A 99 -3.445 -13.859 6.658 1.00 4.24 H new ATOM 1567 N ILE A 100 0.115 -5.393 4.992 1.00 0.44 N ATOM 1568 CA ILE A 100 -0.299 -4.015 5.085 1.00 0.36 C ATOM 1569 C ILE A 100 -0.376 -3.378 3.702 1.00 0.33 C ATOM 1570 O ILE A 100 -1.324 -2.662 3.406 1.00 0.34 O ATOM 1571 CB ILE A 100 0.640 -3.245 6.021 1.00 0.32 C ATOM 1572 CG1 ILE A 100 0.578 -3.900 7.399 1.00 0.33 C ATOM 1573 CG2 ILE A 100 0.256 -1.777 6.098 1.00 0.34 C ATOM 1574 CD1 ILE A 100 1.499 -3.291 8.418 1.00 0.34 C ATOM 0 H ILE A 100 1.080 -5.566 5.272 1.00 0.44 H new ATOM 0 HA ILE A 100 -1.301 -3.973 5.511 1.00 0.36 H new ATOM 0 HB ILE A 100 1.659 -3.284 5.636 1.00 0.32 H new ATOM 0 HG12 ILE A 100 -0.445 -3.840 7.770 1.00 0.33 H new ATOM 0 HG13 ILE A 100 0.819 -4.958 7.296 1.00 0.33 H new ATOM 0 HG21 ILE A 100 0.940 -1.257 6.769 1.00 0.34 H new ATOM 0 HG22 ILE A 100 0.315 -1.333 5.104 1.00 0.34 H new ATOM 0 HG23 ILE A 100 -0.762 -1.687 6.476 1.00 0.34 H new ATOM 0 HD11 ILE A 100 1.390 -3.817 9.367 1.00 0.34 H new ATOM 0 HD12 ILE A 100 2.530 -3.374 8.073 1.00 0.34 H new ATOM 0 HD13 ILE A 100 1.246 -2.240 8.555 1.00 0.34 H new ATOM 1586 N VAL A 101 0.596 -3.672 2.841 1.00 0.33 N ATOM 1587 CA VAL A 101 0.540 -3.200 1.457 1.00 0.35 C ATOM 1588 C VAL A 101 -0.722 -3.740 0.779 1.00 0.37 C ATOM 1589 O VAL A 101 -1.353 -3.052 -0.020 1.00 0.45 O ATOM 1590 CB VAL A 101 1.794 -3.606 0.633 1.00 0.46 C ATOM 1591 CG1 VAL A 101 2.978 -3.855 1.540 1.00 1.35 C ATOM 1592 CG2 VAL A 101 1.527 -4.803 -0.261 1.00 1.32 C ATOM 0 H VAL A 101 1.421 -4.226 3.071 1.00 0.33 H new ATOM 0 HA VAL A 101 0.516 -2.111 1.489 1.00 0.35 H new ATOM 0 HB VAL A 101 2.036 -2.768 -0.021 1.00 0.46 H new ATOM 0 HG11 VAL A 101 3.843 -4.138 0.940 1.00 1.35 H new ATOM 0 HG12 VAL A 101 3.205 -2.947 2.099 1.00 1.35 H new ATOM 0 HG13 VAL A 101 2.741 -4.660 2.236 1.00 1.35 H new ATOM 0 HG21 VAL A 101 2.431 -5.050 -0.817 1.00 1.32 H new ATOM 0 HG22 VAL A 101 1.233 -5.656 0.351 1.00 1.32 H new ATOM 0 HG23 VAL A 101 0.725 -4.564 -0.960 1.00 1.32 H new ATOM 1602 N ALA A 102 -1.091 -4.972 1.136 1.00 0.37 N ATOM 1603 CA ALA A 102 -2.276 -5.621 0.590 1.00 0.39 C ATOM 1604 C ALA A 102 -3.534 -4.913 1.053 1.00 0.35 C ATOM 1605 O ALA A 102 -4.482 -4.736 0.287 1.00 0.34 O ATOM 1606 CB ALA A 102 -2.306 -7.074 1.011 1.00 0.44 C ATOM 0 H ALA A 102 -0.577 -5.542 1.808 1.00 0.37 H new ATOM 0 HA ALA A 102 -2.235 -5.567 -0.498 1.00 0.39 H new ATOM 0 HB1 ALA A 102 -3.194 -7.554 0.600 1.00 0.44 H new ATOM 0 HB2 ALA A 102 -1.415 -7.579 0.638 1.00 0.44 H new ATOM 0 HB3 ALA A 102 -2.330 -7.137 2.099 1.00 0.44 H new ATOM 1612 N PHE A 103 -3.523 -4.515 2.317 1.00 0.35 N ATOM 1613 CA PHE A 103 -4.582 -3.703 2.891 1.00 0.34 C ATOM 1614 C PHE A 103 -4.831 -2.473 2.021 1.00 0.31 C ATOM 1615 O PHE A 103 -5.973 -2.116 1.740 1.00 0.32 O ATOM 1616 CB PHE A 103 -4.183 -3.304 4.317 1.00 0.36 C ATOM 1617 CG PHE A 103 -5.071 -2.282 4.959 1.00 0.62 C ATOM 1618 CD1 PHE A 103 -6.334 -2.632 5.407 1.00 0.67 C ATOM 1619 CD2 PHE A 103 -4.649 -0.973 5.107 1.00 1.03 C ATOM 1620 CE1 PHE A 103 -7.160 -1.694 5.989 1.00 1.09 C ATOM 1621 CE2 PHE A 103 -5.471 -0.030 5.691 1.00 1.48 C ATOM 1622 CZ PHE A 103 -6.702 -0.389 6.164 1.00 1.49 C ATOM 0 H PHE A 103 -2.777 -4.747 2.973 1.00 0.35 H new ATOM 0 HA PHE A 103 -5.511 -4.273 2.930 1.00 0.34 H new ATOM 0 HB2 PHE A 103 -4.174 -4.199 4.940 1.00 0.36 H new ATOM 0 HB3 PHE A 103 -3.164 -2.918 4.299 1.00 0.36 H new ATOM 0 HD1 PHE A 103 -6.676 -3.651 5.299 1.00 0.67 H new ATOM 0 HD2 PHE A 103 -3.667 -0.686 4.762 1.00 1.03 H new ATOM 0 HE1 PHE A 103 -8.155 -1.968 6.307 1.00 1.09 H new ATOM 0 HE2 PHE A 103 -5.140 0.995 5.774 1.00 1.48 H new ATOM 0 HZ PHE A 103 -7.319 0.337 6.673 1.00 1.49 H new ATOM 1632 N PHE A 104 -3.750 -1.851 1.567 1.00 0.33 N ATOM 1633 CA PHE A 104 -3.848 -0.691 0.692 1.00 0.40 C ATOM 1634 C PHE A 104 -4.226 -1.095 -0.722 1.00 0.39 C ATOM 1635 O PHE A 104 -5.017 -0.415 -1.371 1.00 0.47 O ATOM 1636 CB PHE A 104 -2.535 0.079 0.677 1.00 0.56 C ATOM 1637 CG PHE A 104 -2.196 0.668 2.005 1.00 0.97 C ATOM 1638 CD1 PHE A 104 -2.846 1.796 2.460 1.00 1.79 C ATOM 1639 CD2 PHE A 104 -1.221 0.097 2.795 1.00 1.47 C ATOM 1640 CE1 PHE A 104 -2.532 2.344 3.684 1.00 2.90 C ATOM 1641 CE2 PHE A 104 -0.903 0.641 4.017 1.00 2.61 C ATOM 1642 CZ PHE A 104 -1.574 1.756 4.469 1.00 3.29 C ATOM 0 H PHE A 104 -2.795 -2.131 1.791 1.00 0.33 H new ATOM 0 HA PHE A 104 -4.635 -0.048 1.085 1.00 0.40 H new ATOM 0 HB2 PHE A 104 -1.731 -0.588 0.364 1.00 0.56 H new ATOM 0 HB3 PHE A 104 -2.595 0.876 -0.064 1.00 0.56 H new ATOM 0 HD1 PHE A 104 -3.610 2.255 1.850 1.00 1.79 H new ATOM 0 HD2 PHE A 104 -0.702 -0.786 2.451 1.00 1.47 H new ATOM 0 HE1 PHE A 104 -3.039 3.235 4.025 1.00 2.90 H new ATOM 0 HE2 PHE A 104 -0.128 0.195 4.622 1.00 2.61 H new ATOM 0 HZ PHE A 104 -1.345 2.167 5.441 1.00 3.29 H new ATOM 1652 N SER A 105 -3.660 -2.200 -1.189 1.00 0.37 N ATOM 1653 CA SER A 105 -3.941 -2.700 -2.527 1.00 0.44 C ATOM 1654 C SER A 105 -5.436 -2.914 -2.709 1.00 0.40 C ATOM 1655 O SER A 105 -6.033 -2.433 -3.669 1.00 0.45 O ATOM 1656 CB SER A 105 -3.195 -4.013 -2.771 1.00 0.50 C ATOM 1657 OG SER A 105 -1.810 -3.872 -2.508 1.00 1.19 O ATOM 0 H SER A 105 -3.001 -2.769 -0.658 1.00 0.37 H new ATOM 0 HA SER A 105 -3.600 -1.959 -3.250 1.00 0.44 H new ATOM 0 HB2 SER A 105 -3.611 -4.794 -2.135 1.00 0.50 H new ATOM 0 HB3 SER A 105 -3.341 -4.331 -3.803 1.00 0.50 H new ATOM 0 HG SER A 105 -1.666 -3.804 -1.541 1.00 1.19 H new ATOM 1663 N PHE A 106 -6.041 -3.614 -1.761 1.00 0.35 N ATOM 1664 CA PHE A 106 -7.455 -3.919 -1.838 1.00 0.37 C ATOM 1665 C PHE A 106 -8.286 -2.715 -1.414 1.00 0.31 C ATOM 1666 O PHE A 106 -9.351 -2.475 -1.957 1.00 0.30 O ATOM 1667 CB PHE A 106 -7.791 -5.108 -0.948 1.00 0.46 C ATOM 1668 CG PHE A 106 -8.862 -5.991 -1.511 1.00 0.99 C ATOM 1669 CD1 PHE A 106 -10.163 -5.536 -1.609 1.00 1.64 C ATOM 1670 CD2 PHE A 106 -8.569 -7.276 -1.934 1.00 1.56 C ATOM 1671 CE1 PHE A 106 -11.155 -6.345 -2.121 1.00 2.53 C ATOM 1672 CE2 PHE A 106 -9.555 -8.090 -2.446 1.00 2.46 C ATOM 1673 CZ PHE A 106 -10.839 -7.625 -2.564 1.00 2.89 C ATOM 0 H PHE A 106 -5.573 -3.979 -0.932 1.00 0.35 H new ATOM 0 HA PHE A 106 -7.692 -4.168 -2.872 1.00 0.37 H new ATOM 0 HB2 PHE A 106 -6.889 -5.700 -0.790 1.00 0.46 H new ATOM 0 HB3 PHE A 106 -8.108 -4.743 0.029 1.00 0.46 H new ATOM 0 HD1 PHE A 106 -10.405 -4.536 -1.281 1.00 1.64 H new ATOM 0 HD2 PHE A 106 -7.556 -7.644 -1.862 1.00 1.56 H new ATOM 0 HE1 PHE A 106 -12.172 -5.987 -2.178 1.00 2.53 H new ATOM 0 HE2 PHE A 106 -9.316 -9.097 -2.755 1.00 2.46 H new ATOM 0 HZ PHE A 106 -11.603 -8.251 -3.000 1.00 2.89 H new ATOM 1683 N GLY A 107 -7.792 -1.960 -0.443 1.00 0.30 N ATOM 1684 CA GLY A 107 -8.508 -0.788 0.022 1.00 0.28 C ATOM 1685 C GLY A 107 -8.612 0.273 -1.048 1.00 0.24 C ATOM 1686 O GLY A 107 -9.670 0.875 -1.245 1.00 0.27 O ATOM 0 H GLY A 107 -6.907 -2.138 0.032 1.00 0.30 H new ATOM 0 HA2 GLY A 107 -9.508 -1.078 0.343 1.00 0.28 H new ATOM 0 HA3 GLY A 107 -8.000 -0.375 0.894 1.00 0.28 H new ATOM 1690 N GLY A 108 -7.511 0.501 -1.748 1.00 0.23 N ATOM 1691 CA GLY A 108 -7.524 1.426 -2.855 1.00 0.22 C ATOM 1692 C GLY A 108 -8.365 0.892 -3.994 1.00 0.22 C ATOM 1693 O GLY A 108 -9.008 1.649 -4.722 1.00 0.23 O ATOM 0 H GLY A 108 -6.609 0.060 -1.567 1.00 0.23 H new ATOM 0 HA2 GLY A 108 -7.918 2.388 -2.526 1.00 0.22 H new ATOM 0 HA3 GLY A 108 -6.505 1.600 -3.201 1.00 0.22 H new ATOM 1697 N ALA A 109 -8.359 -0.426 -4.138 1.00 0.24 N ATOM 1698 CA ALA A 109 -9.175 -1.098 -5.134 1.00 0.26 C ATOM 1699 C ALA A 109 -10.647 -1.012 -4.766 1.00 0.27 C ATOM 1700 O ALA A 109 -11.501 -0.885 -5.640 1.00 0.31 O ATOM 1701 CB ALA A 109 -8.755 -2.553 -5.262 1.00 0.29 C ATOM 0 H ALA A 109 -7.791 -1.055 -3.570 1.00 0.24 H new ATOM 0 HA ALA A 109 -9.027 -0.600 -6.092 1.00 0.26 H new ATOM 0 HB1 ALA A 109 -9.374 -3.046 -6.012 1.00 0.29 H new ATOM 0 HB2 ALA A 109 -7.709 -2.605 -5.564 1.00 0.29 H new ATOM 0 HB3 ALA A 109 -8.880 -3.054 -4.302 1.00 0.29 H new ATOM 1707 N LEU A 110 -10.923 -1.045 -3.465 1.00 0.25 N ATOM 1708 CA LEU A 110 -12.288 -0.998 -2.947 1.00 0.28 C ATOM 1709 C LEU A 110 -12.896 0.333 -3.333 1.00 0.24 C ATOM 1710 O LEU A 110 -14.070 0.435 -3.699 1.00 0.24 O ATOM 1711 CB LEU A 110 -12.266 -1.145 -1.421 1.00 0.32 C ATOM 1712 CG LEU A 110 -13.398 -1.974 -0.800 1.00 0.45 C ATOM 1713 CD1 LEU A 110 -14.756 -1.335 -1.032 1.00 1.11 C ATOM 1714 CD2 LEU A 110 -13.380 -3.395 -1.342 1.00 1.12 C ATOM 0 H LEU A 110 -10.208 -1.105 -2.740 1.00 0.25 H new ATOM 0 HA LEU A 110 -12.881 -1.812 -3.365 1.00 0.28 H new ATOM 0 HB2 LEU A 110 -11.316 -1.596 -1.135 1.00 0.32 H new ATOM 0 HB3 LEU A 110 -12.291 -0.148 -0.981 1.00 0.32 H new ATOM 0 HG LEU A 110 -13.228 -2.006 0.276 1.00 0.45 H new ATOM 0 HD11 LEU A 110 -15.531 -1.952 -0.577 1.00 1.11 H new ATOM 0 HD12 LEU A 110 -14.772 -0.342 -0.583 1.00 1.11 H new ATOM 0 HD13 LEU A 110 -14.941 -1.252 -2.103 1.00 1.11 H new ATOM 0 HD21 LEU A 110 -14.190 -3.967 -0.890 1.00 1.12 H new ATOM 0 HD22 LEU A 110 -13.511 -3.373 -2.424 1.00 1.12 H new ATOM 0 HD23 LEU A 110 -12.426 -3.864 -1.101 1.00 1.12 H new ATOM 1726 N CYS A 111 -12.058 1.352 -3.240 1.00 0.21 N ATOM 1727 CA CYS A 111 -12.390 2.682 -3.696 1.00 0.19 C ATOM 1728 C CYS A 111 -12.873 2.630 -5.141 1.00 0.20 C ATOM 1729 O CYS A 111 -13.966 3.097 -5.460 1.00 0.26 O ATOM 1730 CB CYS A 111 -11.148 3.563 -3.576 1.00 0.20 C ATOM 1731 SG CYS A 111 -11.346 5.238 -4.187 1.00 0.22 S ATOM 0 H CYS A 111 -11.122 1.274 -2.842 1.00 0.21 H new ATOM 0 HA CYS A 111 -13.191 3.099 -3.085 1.00 0.19 H new ATOM 0 HB2 CYS A 111 -10.852 3.607 -2.528 1.00 0.20 H new ATOM 0 HB3 CYS A 111 -10.330 3.088 -4.119 1.00 0.20 H new ATOM 0 HG CYS A 111 -10.367 5.976 -3.755 1.00 0.22 H new ATOM 1737 N VAL A 112 -12.072 2.010 -6.000 1.00 0.20 N ATOM 1738 CA VAL A 112 -12.400 1.905 -7.413 1.00 0.22 C ATOM 1739 C VAL A 112 -13.605 1.000 -7.646 1.00 0.22 C ATOM 1740 O VAL A 112 -14.439 1.295 -8.495 1.00 0.26 O ATOM 1741 CB VAL A 112 -11.209 1.397 -8.243 1.00 0.26 C ATOM 1742 CG1 VAL A 112 -11.608 1.229 -9.694 1.00 0.35 C ATOM 1743 CG2 VAL A 112 -10.039 2.356 -8.135 1.00 0.27 C ATOM 0 H VAL A 112 -11.189 1.572 -5.739 1.00 0.20 H new ATOM 0 HA VAL A 112 -12.648 2.914 -7.744 1.00 0.22 H new ATOM 0 HB VAL A 112 -10.906 0.428 -7.848 1.00 0.26 H new ATOM 0 HG11 VAL A 112 -10.754 0.869 -10.267 1.00 0.35 H new ATOM 0 HG12 VAL A 112 -12.423 0.509 -9.766 1.00 0.35 H new ATOM 0 HG13 VAL A 112 -11.935 2.188 -10.095 1.00 0.35 H new ATOM 0 HG21 VAL A 112 -9.205 1.981 -8.728 1.00 0.27 H new ATOM 0 HG22 VAL A 112 -10.337 3.336 -8.507 1.00 0.27 H new ATOM 0 HG23 VAL A 112 -9.733 2.441 -7.092 1.00 0.27 H new ATOM 1753 N GLU A 113 -13.707 -0.088 -6.889 1.00 0.23 N ATOM 1754 CA GLU A 113 -14.863 -0.974 -6.987 1.00 0.28 C ATOM 1755 C GLU A 113 -16.143 -0.196 -6.701 1.00 0.23 C ATOM 1756 O GLU A 113 -17.215 -0.519 -7.218 1.00 0.29 O ATOM 1757 CB GLU A 113 -14.725 -2.160 -6.023 1.00 0.40 C ATOM 1758 CG GLU A 113 -13.593 -3.117 -6.379 1.00 0.53 C ATOM 1759 CD GLU A 113 -13.272 -4.109 -5.283 1.00 1.86 C ATOM 1760 OE1 GLU A 113 -12.453 -3.779 -4.405 1.00 2.51 O ATOM 1761 OE2 GLU A 113 -13.834 -5.225 -5.316 1.00 2.34 O ATOM 0 H GLU A 113 -13.008 -0.377 -6.205 1.00 0.23 H new ATOM 0 HA GLU A 113 -14.912 -1.370 -8.002 1.00 0.28 H new ATOM 0 HB2 GLU A 113 -14.562 -1.779 -5.015 1.00 0.40 H new ATOM 0 HB3 GLU A 113 -15.664 -2.713 -6.007 1.00 0.40 H new ATOM 0 HG2 GLU A 113 -13.860 -3.662 -7.284 1.00 0.53 H new ATOM 0 HG3 GLU A 113 -12.698 -2.539 -6.608 1.00 0.53 H new ATOM 1768 N SER A 114 -16.016 0.851 -5.898 1.00 0.18 N ATOM 1769 CA SER A 114 -17.133 1.721 -5.592 1.00 0.19 C ATOM 1770 C SER A 114 -17.360 2.682 -6.749 1.00 0.22 C ATOM 1771 O SER A 114 -18.487 2.903 -7.178 1.00 0.28 O ATOM 1772 CB SER A 114 -16.848 2.485 -4.301 1.00 0.18 C ATOM 1773 OG SER A 114 -16.623 1.586 -3.228 1.00 0.20 O ATOM 0 H SER A 114 -15.141 1.116 -5.445 1.00 0.18 H new ATOM 0 HA SER A 114 -18.036 1.127 -5.451 1.00 0.19 H new ATOM 0 HB2 SER A 114 -15.976 3.125 -4.436 1.00 0.18 H new ATOM 0 HB3 SER A 114 -17.688 3.138 -4.065 1.00 0.18 H new ATOM 0 HG SER A 114 -15.757 1.143 -3.348 1.00 0.20 H new ATOM 1779 N VAL A 115 -16.265 3.186 -7.291 1.00 0.21 N ATOM 1780 CA VAL A 115 -16.298 4.134 -8.396 1.00 0.27 C ATOM 1781 C VAL A 115 -16.900 3.467 -9.615 1.00 0.28 C ATOM 1782 O VAL A 115 -17.589 4.088 -10.428 1.00 0.31 O ATOM 1783 CB VAL A 115 -14.875 4.595 -8.736 1.00 0.34 C ATOM 1784 CG1 VAL A 115 -14.875 5.530 -9.926 1.00 1.23 C ATOM 1785 CG2 VAL A 115 -14.237 5.245 -7.531 1.00 1.10 C ATOM 0 H VAL A 115 -15.324 2.950 -6.977 1.00 0.21 H new ATOM 0 HA VAL A 115 -16.900 4.995 -8.104 1.00 0.27 H new ATOM 0 HB VAL A 115 -14.284 3.721 -9.009 1.00 0.34 H new ATOM 0 HG11 VAL A 115 -13.853 5.841 -10.144 1.00 1.23 H new ATOM 0 HG12 VAL A 115 -15.291 5.016 -10.793 1.00 1.23 H new ATOM 0 HG13 VAL A 115 -15.481 6.407 -9.699 1.00 1.23 H new ATOM 0 HG21 VAL A 115 -13.227 5.568 -7.784 1.00 1.10 H new ATOM 0 HG22 VAL A 115 -14.829 6.108 -7.227 1.00 1.10 H new ATOM 0 HG23 VAL A 115 -14.194 4.528 -6.711 1.00 1.10 H new ATOM 1795 N ASP A 116 -16.612 2.191 -9.706 1.00 0.28 N ATOM 1796 CA ASP A 116 -17.095 1.323 -10.753 1.00 0.34 C ATOM 1797 C ASP A 116 -18.608 1.423 -10.900 1.00 0.35 C ATOM 1798 O ASP A 116 -19.123 1.633 -11.998 1.00 0.41 O ATOM 1799 CB ASP A 116 -16.700 -0.097 -10.386 1.00 0.37 C ATOM 1800 CG ASP A 116 -16.980 -1.097 -11.490 1.00 0.48 C ATOM 1801 OD1 ASP A 116 -18.129 -1.573 -11.588 1.00 0.60 O ATOM 1802 OD2 ASP A 116 -16.057 -1.404 -12.268 1.00 0.60 O ATOM 0 H ASP A 116 -16.015 1.713 -9.031 1.00 0.28 H new ATOM 0 HA ASP A 116 -16.658 1.617 -11.707 1.00 0.34 H new ATOM 0 HB2 ASP A 116 -15.638 -0.121 -10.143 1.00 0.37 H new ATOM 0 HB3 ASP A 116 -17.239 -0.397 -9.487 1.00 0.37 H new ATOM 1807 N LYS A 117 -19.312 1.293 -9.783 1.00 0.32 N ATOM 1808 CA LYS A 117 -20.767 1.366 -9.781 1.00 0.35 C ATOM 1809 C LYS A 117 -21.223 2.814 -9.612 1.00 0.34 C ATOM 1810 O LYS A 117 -22.394 3.078 -9.339 1.00 0.37 O ATOM 1811 CB LYS A 117 -21.347 0.514 -8.646 1.00 0.37 C ATOM 1812 CG LYS A 117 -20.458 -0.637 -8.197 1.00 0.36 C ATOM 1813 CD LYS A 117 -20.188 -1.618 -9.315 1.00 0.45 C ATOM 1814 CE LYS A 117 -19.600 -2.911 -8.785 1.00 0.61 C ATOM 1815 NZ LYS A 117 -20.582 -3.661 -7.956 1.00 1.62 N ATOM 0 H LYS A 117 -18.897 1.136 -8.864 1.00 0.32 H new ATOM 0 HA LYS A 117 -21.128 0.982 -10.735 1.00 0.35 H new ATOM 0 HB2 LYS A 117 -21.543 1.159 -7.790 1.00 0.37 H new ATOM 0 HB3 LYS A 117 -22.307 0.110 -8.967 1.00 0.37 H new ATOM 0 HG2 LYS A 117 -19.512 -0.241 -7.827 1.00 0.36 H new ATOM 0 HG3 LYS A 117 -20.933 -1.158 -7.365 1.00 0.36 H new ATOM 0 HD2 LYS A 117 -21.115 -1.829 -9.848 1.00 0.45 H new ATOM 0 HD3 LYS A 117 -19.501 -1.172 -10.035 1.00 0.45 H new ATOM 0 HE2 LYS A 117 -19.277 -3.533 -9.620 1.00 0.61 H new ATOM 0 HE3 LYS A 117 -18.714 -2.691 -8.190 1.00 0.61 H new ATOM 0 HZ1 LYS A 117 -20.303 -4.662 -7.907 1.00 1.62 H new ATOM 0 HZ2 LYS A 117 -20.604 -3.260 -6.996 1.00 1.62 H new ATOM 0 HZ3 LYS A 117 -21.527 -3.586 -8.384 1.00 1.62 H new ATOM 1829 N GLU A 118 -20.277 3.740 -9.777 1.00 0.31 N ATOM 1830 CA GLU A 118 -20.525 5.170 -9.608 1.00 0.33 C ATOM 1831 C GLU A 118 -20.925 5.482 -8.173 1.00 0.31 C ATOM 1832 O GLU A 118 -21.814 6.285 -7.913 1.00 0.38 O ATOM 1833 CB GLU A 118 -21.579 5.660 -10.601 1.00 0.40 C ATOM 1834 CG GLU A 118 -21.113 5.568 -12.044 1.00 0.49 C ATOM 1835 CD GLU A 118 -22.135 6.099 -13.022 1.00 1.12 C ATOM 1836 OE1 GLU A 118 -22.223 7.333 -13.185 1.00 1.07 O ATOM 1837 OE2 GLU A 118 -22.853 5.284 -13.637 1.00 1.88 O ATOM 0 H GLU A 118 -19.315 3.517 -10.032 1.00 0.31 H new ATOM 0 HA GLU A 118 -19.599 5.706 -9.818 1.00 0.33 H new ATOM 0 HB2 GLU A 118 -22.488 5.072 -10.479 1.00 0.40 H new ATOM 0 HB3 GLU A 118 -21.835 6.694 -10.372 1.00 0.40 H new ATOM 0 HG2 GLU A 118 -20.183 6.126 -12.158 1.00 0.49 H new ATOM 0 HG3 GLU A 118 -20.892 4.528 -12.285 1.00 0.49 H new ATOM 1844 N MET A 119 -20.215 4.857 -7.249 1.00 0.26 N ATOM 1845 CA MET A 119 -20.449 5.028 -5.823 1.00 0.26 C ATOM 1846 C MET A 119 -19.212 5.661 -5.216 1.00 0.25 C ATOM 1847 O MET A 119 -18.701 5.233 -4.186 1.00 0.23 O ATOM 1848 CB MET A 119 -20.729 3.682 -5.154 1.00 0.25 C ATOM 1849 CG MET A 119 -21.870 2.902 -5.779 1.00 0.28 C ATOM 1850 SD MET A 119 -22.058 1.266 -5.049 1.00 0.31 S ATOM 1851 CE MET A 119 -20.370 0.668 -5.132 1.00 0.29 C ATOM 0 H MET A 119 -19.455 4.213 -7.467 1.00 0.26 H new ATOM 0 HA MET A 119 -21.320 5.665 -5.667 1.00 0.26 H new ATOM 0 HB2 MET A 119 -19.825 3.075 -5.193 1.00 0.25 H new ATOM 0 HB3 MET A 119 -20.954 3.852 -4.101 1.00 0.25 H new ATOM 0 HG2 MET A 119 -22.798 3.460 -5.658 1.00 0.28 H new ATOM 0 HG3 MET A 119 -21.695 2.802 -6.850 1.00 0.28 H new ATOM 0 HE1 MET A 119 -20.373 -0.418 -5.222 1.00 0.29 H new ATOM 0 HE2 MET A 119 -19.872 1.102 -5.999 1.00 0.29 H new ATOM 0 HE3 MET A 119 -19.837 0.956 -4.226 1.00 0.29 H new ATOM 1861 N GLN A 120 -18.737 6.685 -5.891 1.00 0.31 N ATOM 1862 CA GLN A 120 -17.516 7.380 -5.538 1.00 0.31 C ATOM 1863 C GLN A 120 -17.580 8.028 -4.151 1.00 0.32 C ATOM 1864 O GLN A 120 -16.584 8.548 -3.659 1.00 0.33 O ATOM 1865 CB GLN A 120 -17.251 8.417 -6.614 1.00 0.36 C ATOM 1866 CG GLN A 120 -17.298 7.817 -8.007 1.00 0.36 C ATOM 1867 CD GLN A 120 -18.113 8.641 -8.985 1.00 0.58 C ATOM 1868 OE1 GLN A 120 -18.260 9.852 -8.831 1.00 1.15 O ATOM 1869 NE2 GLN A 120 -18.633 7.989 -10.011 1.00 0.55 N ATOM 0 H GLN A 120 -19.197 7.066 -6.718 1.00 0.31 H new ATOM 0 HA GLN A 120 -16.700 6.660 -5.483 1.00 0.31 H new ATOM 0 HB2 GLN A 120 -17.990 9.215 -6.538 1.00 0.36 H new ATOM 0 HB3 GLN A 120 -16.274 8.870 -6.448 1.00 0.36 H new ATOM 0 HG2 GLN A 120 -16.281 7.716 -8.386 1.00 0.36 H new ATOM 0 HG3 GLN A 120 -17.718 6.813 -7.949 1.00 0.36 H new ATOM 0 HE21 GLN A 120 -18.488 6.984 -10.103 1.00 0.55 H new ATOM 0 HE22 GLN A 120 -19.179 8.491 -10.711 1.00 0.55 H new ATOM 1878 N VAL A 121 -18.749 8.012 -3.529 1.00 0.32 N ATOM 1879 CA VAL A 121 -18.878 8.486 -2.156 1.00 0.35 C ATOM 1880 C VAL A 121 -18.104 7.585 -1.187 1.00 0.31 C ATOM 1881 O VAL A 121 -17.651 8.039 -0.134 1.00 0.36 O ATOM 1882 CB VAL A 121 -20.351 8.560 -1.708 1.00 0.39 C ATOM 1883 CG1 VAL A 121 -21.110 9.591 -2.525 1.00 0.46 C ATOM 1884 CG2 VAL A 121 -21.011 7.197 -1.820 1.00 0.38 C ATOM 0 H VAL A 121 -19.617 7.679 -3.948 1.00 0.32 H new ATOM 0 HA VAL A 121 -18.457 9.491 -2.134 1.00 0.35 H new ATOM 0 HB VAL A 121 -20.376 8.869 -0.663 1.00 0.39 H new ATOM 0 HG11 VAL A 121 -22.147 9.627 -2.192 1.00 0.46 H new ATOM 0 HG12 VAL A 121 -20.652 10.571 -2.391 1.00 0.46 H new ATOM 0 HG13 VAL A 121 -21.076 9.316 -3.579 1.00 0.46 H new ATOM 0 HG21 VAL A 121 -22.050 7.269 -1.500 1.00 0.38 H new ATOM 0 HG22 VAL A 121 -20.973 6.858 -2.855 1.00 0.38 H new ATOM 0 HG23 VAL A 121 -20.484 6.484 -1.186 1.00 0.38 H new ATOM 1894 N LEU A 122 -17.941 6.312 -1.556 1.00 0.24 N ATOM 1895 CA LEU A 122 -17.216 5.356 -0.722 1.00 0.21 C ATOM 1896 C LEU A 122 -15.738 5.672 -0.725 1.00 0.19 C ATOM 1897 O LEU A 122 -15.043 5.392 0.247 1.00 0.19 O ATOM 1898 CB LEU A 122 -17.409 3.912 -1.202 1.00 0.18 C ATOM 1899 CG LEU A 122 -18.767 3.269 -0.911 1.00 0.22 C ATOM 1900 CD1 LEU A 122 -19.150 3.466 0.541 1.00 0.26 C ATOM 1901 CD2 LEU A 122 -19.841 3.814 -1.833 1.00 0.22 C ATOM 0 H LEU A 122 -18.302 5.922 -2.427 1.00 0.24 H new ATOM 0 HA LEU A 122 -17.621 5.445 0.286 1.00 0.21 H new ATOM 0 HB2 LEU A 122 -17.244 3.886 -2.279 1.00 0.18 H new ATOM 0 HB3 LEU A 122 -16.635 3.295 -0.746 1.00 0.18 H new ATOM 0 HG LEU A 122 -18.680 2.199 -1.100 1.00 0.22 H new ATOM 0 HD11 LEU A 122 -20.118 3.002 0.728 1.00 0.26 H new ATOM 0 HD12 LEU A 122 -18.397 3.006 1.181 1.00 0.26 H new ATOM 0 HD13 LEU A 122 -19.210 4.532 0.760 1.00 0.26 H new ATOM 0 HD21 LEU A 122 -20.794 3.338 -1.602 1.00 0.22 H new ATOM 0 HD22 LEU A 122 -19.929 4.891 -1.692 1.00 0.22 H new ATOM 0 HD23 LEU A 122 -19.572 3.605 -2.868 1.00 0.22 H new ATOM 1913 N VAL A 123 -15.275 6.249 -1.827 1.00 0.19 N ATOM 1914 CA VAL A 123 -13.880 6.644 -1.982 1.00 0.20 C ATOM 1915 C VAL A 123 -13.332 7.316 -0.718 1.00 0.22 C ATOM 1916 O VAL A 123 -12.334 6.868 -0.150 1.00 0.25 O ATOM 1917 CB VAL A 123 -13.740 7.591 -3.190 1.00 0.22 C ATOM 1918 CG1 VAL A 123 -12.336 8.168 -3.286 1.00 0.23 C ATOM 1919 CG2 VAL A 123 -14.115 6.853 -4.469 1.00 0.23 C ATOM 0 H VAL A 123 -15.856 6.457 -2.639 1.00 0.19 H new ATOM 0 HA VAL A 123 -13.293 5.741 -2.152 1.00 0.20 H new ATOM 0 HB VAL A 123 -14.423 8.429 -3.051 1.00 0.22 H new ATOM 0 HG11 VAL A 123 -12.273 8.831 -4.149 1.00 0.23 H new ATOM 0 HG12 VAL A 123 -12.111 8.730 -2.380 1.00 0.23 H new ATOM 0 HG13 VAL A 123 -11.616 7.357 -3.398 1.00 0.23 H new ATOM 0 HG21 VAL A 123 -14.015 7.526 -5.320 1.00 0.23 H new ATOM 0 HG22 VAL A 123 -13.453 5.997 -4.603 1.00 0.23 H new ATOM 0 HG23 VAL A 123 -15.146 6.506 -4.400 1.00 0.23 H new ATOM 1929 N SER A 124 -14.000 8.369 -0.269 1.00 0.24 N ATOM 1930 CA SER A 124 -13.546 9.110 0.901 1.00 0.28 C ATOM 1931 C SER A 124 -13.734 8.286 2.176 1.00 0.27 C ATOM 1932 O SER A 124 -12.921 8.359 3.100 1.00 0.33 O ATOM 1933 CB SER A 124 -14.310 10.429 1.018 1.00 0.36 C ATOM 1934 OG SER A 124 -13.574 11.385 1.763 1.00 1.35 O ATOM 0 H SER A 124 -14.854 8.729 -0.694 1.00 0.24 H new ATOM 0 HA SER A 124 -12.483 9.320 0.779 1.00 0.28 H new ATOM 0 HB2 SER A 124 -14.517 10.821 0.022 1.00 0.36 H new ATOM 0 HB3 SER A 124 -15.273 10.253 1.498 1.00 0.36 H new ATOM 0 HG SER A 124 -14.091 11.654 2.551 1.00 1.35 H new ATOM 1940 N ARG A 125 -14.806 7.498 2.215 1.00 0.23 N ATOM 1941 CA ARG A 125 -15.123 6.689 3.386 1.00 0.23 C ATOM 1942 C ARG A 125 -14.030 5.662 3.624 1.00 0.21 C ATOM 1943 O ARG A 125 -13.445 5.595 4.703 1.00 0.25 O ATOM 1944 CB ARG A 125 -16.449 5.955 3.202 1.00 0.28 C ATOM 1945 CG ARG A 125 -17.629 6.850 2.880 1.00 0.55 C ATOM 1946 CD ARG A 125 -18.911 6.052 2.899 1.00 0.55 C ATOM 1947 NE ARG A 125 -20.089 6.861 2.606 1.00 1.44 N ATOM 1948 CZ ARG A 125 -21.334 6.399 2.710 1.00 1.65 C ATOM 1949 NH1 ARG A 125 -21.550 5.179 3.196 1.00 1.06 N ATOM 1950 NH2 ARG A 125 -22.362 7.163 2.364 1.00 2.67 N ATOM 0 H ARG A 125 -15.470 7.403 1.447 1.00 0.23 H new ATOM 0 HA ARG A 125 -15.200 7.361 4.241 1.00 0.23 H new ATOM 0 HB2 ARG A 125 -16.336 5.224 2.402 1.00 0.28 H new ATOM 0 HB3 ARG A 125 -16.670 5.399 4.113 1.00 0.28 H new ATOM 0 HG2 ARG A 125 -17.687 7.662 3.605 1.00 0.55 H new ATOM 0 HG3 ARG A 125 -17.491 7.307 1.900 1.00 0.55 H new ATOM 0 HD2 ARG A 125 -18.841 5.244 2.170 1.00 0.55 H new ATOM 0 HD3 ARG A 125 -19.030 5.588 3.878 1.00 0.55 H new ATOM 0 HE ARG A 125 -19.953 7.827 2.307 1.00 1.44 H new ATOM 0 HH11 ARG A 125 -20.763 4.600 3.488 1.00 1.06 H new ATOM 0 HH12 ARG A 125 -22.503 4.823 3.276 1.00 1.06 H new ATOM 0 HH21 ARG A 125 -22.201 8.108 2.017 1.00 2.67 H new ATOM 0 HH22 ARG A 125 -23.314 6.805 2.445 1.00 2.67 H new ATOM 1964 N ILE A 126 -13.776 4.863 2.599 1.00 0.19 N ATOM 1965 CA ILE A 126 -12.748 3.837 2.649 1.00 0.19 C ATOM 1966 C ILE A 126 -11.414 4.422 3.108 1.00 0.20 C ATOM 1967 O ILE A 126 -10.838 3.944 4.081 1.00 0.23 O ATOM 1968 CB ILE A 126 -12.592 3.156 1.272 1.00 0.19 C ATOM 1969 CG1 ILE A 126 -13.950 2.588 0.839 1.00 0.18 C ATOM 1970 CG2 ILE A 126 -11.541 2.053 1.334 1.00 0.22 C ATOM 1971 CD1 ILE A 126 -14.007 2.116 -0.593 1.00 0.18 C ATOM 0 H ILE A 126 -14.276 4.908 1.711 1.00 0.19 H new ATOM 0 HA ILE A 126 -13.058 3.085 3.375 1.00 0.19 H new ATOM 0 HB ILE A 126 -12.258 3.891 0.540 1.00 0.19 H new ATOM 0 HG12 ILE A 126 -14.205 1.754 1.493 1.00 0.18 H new ATOM 0 HG13 ILE A 126 -14.712 3.353 0.986 1.00 0.18 H new ATOM 0 HG21 ILE A 126 -11.446 1.585 0.354 1.00 0.22 H new ATOM 0 HG22 ILE A 126 -10.582 2.480 1.627 1.00 0.22 H new ATOM 0 HG23 ILE A 126 -11.843 1.304 2.066 1.00 0.22 H new ATOM 0 HD11 ILE A 126 -15.003 1.731 -0.810 1.00 0.18 H new ATOM 0 HD12 ILE A 126 -13.787 2.950 -1.260 1.00 0.18 H new ATOM 0 HD13 ILE A 126 -13.272 1.326 -0.745 1.00 0.18 H new ATOM 1983 N ALA A 127 -10.948 5.476 2.437 1.00 0.21 N ATOM 1984 CA ALA A 127 -9.663 6.096 2.772 1.00 0.24 C ATOM 1985 C ALA A 127 -9.597 6.501 4.247 1.00 0.24 C ATOM 1986 O ALA A 127 -8.537 6.425 4.873 1.00 0.29 O ATOM 1987 CB ALA A 127 -9.401 7.300 1.880 1.00 0.27 C ATOM 0 H ALA A 127 -11.439 5.918 1.660 1.00 0.21 H new ATOM 0 HA ALA A 127 -8.886 5.352 2.598 1.00 0.24 H new ATOM 0 HB1 ALA A 127 -8.442 7.747 2.144 1.00 0.27 H new ATOM 0 HB2 ALA A 127 -9.379 6.982 0.838 1.00 0.27 H new ATOM 0 HB3 ALA A 127 -10.194 8.035 2.018 1.00 0.27 H new ATOM 1993 N ALA A 128 -10.732 6.918 4.794 1.00 0.21 N ATOM 1994 CA ALA A 128 -10.822 7.278 6.206 1.00 0.22 C ATOM 1995 C ALA A 128 -10.536 6.079 7.089 1.00 0.23 C ATOM 1996 O ALA A 128 -9.617 6.089 7.910 1.00 0.28 O ATOM 1997 CB ALA A 128 -12.208 7.809 6.527 1.00 0.23 C ATOM 0 H ALA A 128 -11.607 7.016 4.280 1.00 0.21 H new ATOM 0 HA ALA A 128 -10.078 8.050 6.401 1.00 0.22 H new ATOM 0 HB1 ALA A 128 -12.261 8.073 7.583 1.00 0.23 H new ATOM 0 HB2 ALA A 128 -12.408 8.693 5.921 1.00 0.23 H new ATOM 0 HB3 ALA A 128 -12.951 7.042 6.307 1.00 0.23 H new ATOM 2003 N TRP A 129 -11.331 5.041 6.897 1.00 0.25 N ATOM 2004 CA TRP A 129 -11.257 3.851 7.721 1.00 0.35 C ATOM 2005 C TRP A 129 -9.964 3.088 7.472 1.00 0.25 C ATOM 2006 O TRP A 129 -9.480 2.374 8.346 1.00 0.27 O ATOM 2007 CB TRP A 129 -12.468 2.968 7.448 1.00 0.56 C ATOM 2008 CG TRP A 129 -13.761 3.644 7.768 1.00 0.60 C ATOM 2009 CD1 TRP A 129 -14.776 3.921 6.901 1.00 0.49 C ATOM 2010 CD2 TRP A 129 -14.171 4.148 9.043 1.00 1.73 C ATOM 2011 NE1 TRP A 129 -15.793 4.564 7.558 1.00 1.14 N ATOM 2012 CE2 TRP A 129 -15.446 4.714 8.875 1.00 1.99 C ATOM 2013 CE3 TRP A 129 -13.583 4.173 10.312 1.00 2.63 C ATOM 2014 CZ2 TRP A 129 -16.145 5.299 9.925 1.00 3.08 C ATOM 2015 CZ3 TRP A 129 -14.277 4.754 11.354 1.00 3.70 C ATOM 2016 CH2 TRP A 129 -15.547 5.310 11.155 1.00 3.91 C ATOM 0 H TRP A 129 -12.043 5.001 6.168 1.00 0.25 H new ATOM 0 HA TRP A 129 -11.261 4.150 8.769 1.00 0.35 H new ATOM 0 HB2 TRP A 129 -12.468 2.673 6.399 1.00 0.56 H new ATOM 0 HB3 TRP A 129 -12.386 2.054 8.036 1.00 0.56 H new ATOM 0 HD1 TRP A 129 -14.779 3.671 5.850 1.00 0.49 H new ATOM 0 HE1 TRP A 129 -16.666 4.879 7.135 1.00 1.14 H new ATOM 0 HE3 TRP A 129 -12.604 3.746 10.473 1.00 2.63 H new ATOM 0 HZ2 TRP A 129 -17.124 5.729 9.775 1.00 3.08 H new ATOM 0 HZ3 TRP A 129 -13.834 4.780 12.338 1.00 3.70 H new ATOM 0 HH2 TRP A 129 -16.065 5.757 11.991 1.00 3.91 H new ATOM 2027 N MET A 130 -9.409 3.252 6.280 1.00 0.24 N ATOM 2028 CA MET A 130 -8.135 2.637 5.932 1.00 0.26 C ATOM 2029 C MET A 130 -7.020 3.170 6.821 1.00 0.25 C ATOM 2030 O MET A 130 -6.386 2.418 7.561 1.00 0.29 O ATOM 2031 CB MET A 130 -7.806 2.907 4.464 1.00 0.31 C ATOM 2032 CG MET A 130 -8.644 2.102 3.489 1.00 0.29 C ATOM 2033 SD MET A 130 -7.829 0.593 2.960 1.00 1.08 S ATOM 2034 CE MET A 130 -6.482 1.290 2.015 1.00 0.31 C ATOM 0 H MET A 130 -9.824 3.809 5.533 1.00 0.24 H new ATOM 0 HA MET A 130 -8.218 1.561 6.088 1.00 0.26 H new ATOM 0 HB2 MET A 130 -7.947 3.968 4.259 1.00 0.31 H new ATOM 0 HB3 MET A 130 -6.753 2.686 4.291 1.00 0.31 H new ATOM 0 HG2 MET A 130 -9.597 1.852 3.955 1.00 0.29 H new ATOM 0 HG3 MET A 130 -8.868 2.715 2.616 1.00 0.29 H new ATOM 0 HE1 MET A 130 -6.458 0.835 1.025 1.00 0.31 H new ATOM 0 HE2 MET A 130 -6.625 2.366 1.916 1.00 0.31 H new ATOM 0 HE3 MET A 130 -5.539 1.095 2.527 1.00 0.31 H new ATOM 2044 N ALA A 131 -6.796 4.476 6.759 1.00 0.24 N ATOM 2045 CA ALA A 131 -5.751 5.102 7.557 1.00 0.24 C ATOM 2046 C ALA A 131 -6.027 4.935 9.042 1.00 0.24 C ATOM 2047 O ALA A 131 -5.104 4.774 9.837 1.00 0.25 O ATOM 2048 CB ALA A 131 -5.609 6.572 7.208 1.00 0.25 C ATOM 0 H ALA A 131 -7.321 5.120 6.167 1.00 0.24 H new ATOM 0 HA ALA A 131 -4.811 4.602 7.325 1.00 0.24 H new ATOM 0 HB1 ALA A 131 -4.822 7.016 7.818 1.00 0.25 H new ATOM 0 HB2 ALA A 131 -5.351 6.672 6.154 1.00 0.25 H new ATOM 0 HB3 ALA A 131 -6.551 7.085 7.402 1.00 0.25 H new ATOM 2054 N THR A 132 -7.300 4.968 9.411 1.00 0.26 N ATOM 2055 CA THR A 132 -7.687 4.748 10.794 1.00 0.29 C ATOM 2056 C THR A 132 -7.327 3.336 11.252 1.00 0.30 C ATOM 2057 O THR A 132 -6.769 3.146 12.333 1.00 0.32 O ATOM 2058 CB THR A 132 -9.193 4.955 10.999 1.00 0.32 C ATOM 2059 OG1 THR A 132 -9.566 6.280 10.594 1.00 0.35 O ATOM 2060 CG2 THR A 132 -9.552 4.728 12.459 1.00 0.40 C ATOM 0 H THR A 132 -8.077 5.144 8.774 1.00 0.26 H new ATOM 0 HA THR A 132 -7.138 5.479 11.388 1.00 0.29 H new ATOM 0 HB THR A 132 -9.739 4.237 10.387 1.00 0.32 H new ATOM 0 HG1 THR A 132 -9.444 6.373 9.626 1.00 0.35 H new ATOM 0 HG21 THR A 132 -10.623 4.877 12.598 1.00 0.40 H new ATOM 0 HG22 THR A 132 -9.287 3.710 12.745 1.00 0.40 H new ATOM 0 HG23 THR A 132 -9.004 5.434 13.083 1.00 0.40 H new ATOM 2068 N TYR A 133 -7.670 2.345 10.435 1.00 0.30 N ATOM 2069 CA TYR A 133 -7.375 0.957 10.759 1.00 0.32 C ATOM 2070 C TYR A 133 -5.872 0.765 10.902 1.00 0.32 C ATOM 2071 O TYR A 133 -5.412 0.017 11.762 1.00 0.37 O ATOM 2072 CB TYR A 133 -7.931 0.014 9.691 1.00 0.33 C ATOM 2073 CG TYR A 133 -8.338 -1.336 10.237 1.00 0.93 C ATOM 2074 CD1 TYR A 133 -7.407 -2.354 10.413 1.00 1.72 C ATOM 2075 CD2 TYR A 133 -9.658 -1.587 10.583 1.00 1.29 C ATOM 2076 CE1 TYR A 133 -7.786 -3.584 10.920 1.00 2.40 C ATOM 2077 CE2 TYR A 133 -10.043 -2.814 11.088 1.00 1.93 C ATOM 2078 CZ TYR A 133 -9.106 -3.808 11.255 1.00 2.40 C ATOM 2079 OH TYR A 133 -9.489 -5.027 11.762 1.00 3.13 O ATOM 0 H TYR A 133 -8.152 2.479 9.546 1.00 0.30 H new ATOM 0 HA TYR A 133 -7.858 0.716 11.706 1.00 0.32 H new ATOM 0 HB2 TYR A 133 -8.794 0.482 9.217 1.00 0.33 H new ATOM 0 HB3 TYR A 133 -7.179 -0.128 8.915 1.00 0.33 H new ATOM 0 HD1 TYR A 133 -6.374 -2.182 10.150 1.00 1.72 H new ATOM 0 HD2 TYR A 133 -10.397 -0.810 10.455 1.00 1.29 H new ATOM 0 HE1 TYR A 133 -7.052 -4.365 11.053 1.00 2.40 H new ATOM 0 HE2 TYR A 133 -11.075 -2.992 11.351 1.00 1.93 H new ATOM 0 HH TYR A 133 -8.844 -5.712 11.489 1.00 3.13 H new ATOM 2089 N LEU A 134 -5.104 1.451 10.064 1.00 0.29 N ATOM 2090 CA LEU A 134 -3.658 1.451 10.211 1.00 0.30 C ATOM 2091 C LEU A 134 -3.300 2.110 11.540 1.00 0.32 C ATOM 2092 O LEU A 134 -2.554 1.547 12.333 1.00 0.35 O ATOM 2093 CB LEU A 134 -2.981 2.183 9.037 1.00 0.29 C ATOM 2094 CG LEU A 134 -1.470 1.922 8.868 1.00 0.48 C ATOM 2095 CD1 LEU A 134 -0.985 2.421 7.516 1.00 0.95 C ATOM 2096 CD2 LEU A 134 -0.667 2.584 9.975 1.00 0.88 C ATOM 0 H LEU A 134 -5.455 2.008 9.285 1.00 0.29 H new ATOM 0 HA LEU A 134 -3.295 0.423 10.202 1.00 0.30 H new ATOM 0 HB2 LEU A 134 -3.486 1.896 8.114 1.00 0.29 H new ATOM 0 HB3 LEU A 134 -3.134 3.255 9.164 1.00 0.29 H new ATOM 0 HG LEU A 134 -1.318 0.844 8.927 1.00 0.48 H new ATOM 0 HD11 LEU A 134 0.083 2.227 7.418 1.00 0.95 H new ATOM 0 HD12 LEU A 134 -1.522 1.902 6.722 1.00 0.95 H new ATOM 0 HD13 LEU A 134 -1.168 3.493 7.437 1.00 0.95 H new ATOM 0 HD21 LEU A 134 0.394 2.381 9.827 1.00 0.88 H new ATOM 0 HD22 LEU A 134 -0.837 3.660 9.954 1.00 0.88 H new ATOM 0 HD23 LEU A 134 -0.981 2.186 10.940 1.00 0.88 H new ATOM 2108 N ASN A 135 -3.865 3.291 11.773 1.00 0.31 N ATOM 2109 CA ASN A 135 -3.639 4.053 13.003 1.00 0.35 C ATOM 2110 C ASN A 135 -3.795 3.191 14.244 1.00 0.38 C ATOM 2111 O ASN A 135 -2.875 3.080 15.054 1.00 0.43 O ATOM 2112 CB ASN A 135 -4.628 5.221 13.093 1.00 0.36 C ATOM 2113 CG ASN A 135 -4.028 6.551 12.699 1.00 0.38 C ATOM 2114 OD1 ASN A 135 -4.065 6.855 11.416 1.00 0.46 O flip ATOM 2115 ND2 ASN A 135 -3.519 7.291 13.539 1.00 0.34 N flip ATOM 0 H ASN A 135 -4.494 3.750 11.114 1.00 0.31 H new ATOM 0 HA ASN A 135 -2.615 4.423 12.962 1.00 0.35 H new ATOM 0 HB2 ASN A 135 -5.483 5.013 12.450 1.00 0.36 H new ATOM 0 HB3 ASN A 135 -5.005 5.290 14.113 1.00 0.36 H new ATOM 0 HD21 ASN A 135 -3.511 7.018 14.522 1.00 0.34 H new ATOM 0 HD22 ASN A 135 -3.104 8.178 13.253 1.00 0.34 H new ATOM 2122 N ASP A 136 -4.959 2.582 14.391 1.00 0.38 N ATOM 2123 CA ASP A 136 -5.265 1.838 15.602 1.00 0.42 C ATOM 2124 C ASP A 136 -4.655 0.440 15.595 1.00 0.40 C ATOM 2125 O ASP A 136 -4.004 0.032 16.557 1.00 0.43 O ATOM 2126 CB ASP A 136 -6.779 1.744 15.794 1.00 0.45 C ATOM 2127 CG ASP A 136 -7.157 0.825 16.937 1.00 0.53 C ATOM 2128 OD1 ASP A 136 -6.864 1.166 18.102 1.00 0.59 O ATOM 2129 OD2 ASP A 136 -7.748 -0.245 16.672 1.00 0.58 O ATOM 0 H ASP A 136 -5.703 2.587 13.693 1.00 0.38 H new ATOM 0 HA ASP A 136 -4.821 2.383 16.435 1.00 0.42 H new ATOM 0 HB2 ASP A 136 -7.182 2.739 15.982 1.00 0.45 H new ATOM 0 HB3 ASP A 136 -7.238 1.383 14.874 1.00 0.45 H new ATOM 2134 N HIS A 137 -4.853 -0.282 14.505 1.00 0.38 N ATOM 2135 CA HIS A 137 -4.532 -1.700 14.463 1.00 0.38 C ATOM 2136 C HIS A 137 -3.111 -1.978 13.990 1.00 0.35 C ATOM 2137 O HIS A 137 -2.390 -2.759 14.608 1.00 0.37 O ATOM 2138 CB HIS A 137 -5.517 -2.419 13.548 1.00 0.40 C ATOM 2139 CG HIS A 137 -6.533 -3.242 14.278 1.00 0.63 C ATOM 2140 ND1 HIS A 137 -7.843 -2.849 14.441 1.00 1.18 N ATOM 2141 CD2 HIS A 137 -6.431 -4.454 14.873 1.00 1.45 C ATOM 2142 CE1 HIS A 137 -8.500 -3.781 15.103 1.00 1.13 C ATOM 2143 NE2 HIS A 137 -7.668 -4.765 15.376 1.00 1.34 N ATOM 0 H HIS A 137 -5.235 0.090 13.636 1.00 0.38 H new ATOM 0 HA HIS A 137 -4.609 -2.072 15.485 1.00 0.38 H new ATOM 0 HB2 HIS A 137 -6.034 -1.681 12.935 1.00 0.40 H new ATOM 0 HB3 HIS A 137 -4.961 -3.065 12.868 1.00 0.40 H new ATOM 0 HD2 HIS A 137 -5.541 -5.062 14.939 1.00 1.45 H new ATOM 0 HE1 HIS A 137 -9.544 -3.744 15.376 1.00 1.13 H new ATOM 0 HE2 HIS A 137 -7.905 -5.620 15.880 1.00 1.34 H new ATOM 2152 N LEU A 138 -2.709 -1.349 12.898 1.00 0.32 N ATOM 2153 CA LEU A 138 -1.503 -1.769 12.204 1.00 0.29 C ATOM 2154 C LEU A 138 -0.262 -1.048 12.685 1.00 0.27 C ATOM 2155 O LEU A 138 0.816 -1.628 12.688 1.00 0.27 O ATOM 2156 CB LEU A 138 -1.677 -1.554 10.710 1.00 0.30 C ATOM 2157 CG LEU A 138 -2.940 -2.183 10.140 1.00 0.59 C ATOM 2158 CD1 LEU A 138 -3.061 -1.881 8.666 1.00 1.20 C ATOM 2159 CD2 LEU A 138 -2.939 -3.679 10.395 1.00 1.20 C ATOM 0 H LEU A 138 -3.193 -0.556 12.477 1.00 0.32 H new ATOM 0 HA LEU A 138 -1.358 -2.827 12.423 1.00 0.29 H new ATOM 0 HB2 LEU A 138 -1.692 -0.483 10.506 1.00 0.30 H new ATOM 0 HB3 LEU A 138 -0.812 -1.965 10.190 1.00 0.30 H new ATOM 0 HG LEU A 138 -3.807 -1.753 10.641 1.00 0.59 H new ATOM 0 HD11 LEU A 138 -3.970 -2.338 8.274 1.00 1.20 H new ATOM 0 HD12 LEU A 138 -3.105 -0.802 8.518 1.00 1.20 H new ATOM 0 HD13 LEU A 138 -2.196 -2.284 8.140 1.00 1.20 H new ATOM 0 HD21 LEU A 138 -3.847 -4.119 9.983 1.00 1.20 H new ATOM 0 HD22 LEU A 138 -2.069 -4.129 9.917 1.00 1.20 H new ATOM 0 HD23 LEU A 138 -2.900 -3.865 11.468 1.00 1.20 H new ATOM 2171 N GLU A 139 -0.412 0.210 13.085 1.00 0.30 N ATOM 2172 CA GLU A 139 0.732 1.038 13.467 1.00 0.31 C ATOM 2173 C GLU A 139 1.651 0.320 14.467 1.00 0.30 C ATOM 2174 O GLU A 139 2.858 0.258 14.241 1.00 0.30 O ATOM 2175 CB GLU A 139 0.282 2.389 14.031 1.00 0.38 C ATOM 2176 CG GLU A 139 1.404 3.415 14.071 1.00 0.40 C ATOM 2177 CD GLU A 139 0.996 4.718 14.722 1.00 0.49 C ATOM 2178 OE1 GLU A 139 0.031 5.348 14.241 1.00 0.75 O ATOM 2179 OE2 GLU A 139 1.630 5.125 15.716 1.00 0.61 O ATOM 0 H GLU A 139 -1.314 0.681 13.154 1.00 0.30 H new ATOM 0 HA GLU A 139 1.305 1.219 12.558 1.00 0.31 H new ATOM 0 HB2 GLU A 139 -0.537 2.776 13.424 1.00 0.38 H new ATOM 0 HB3 GLU A 139 -0.108 2.245 15.038 1.00 0.38 H new ATOM 0 HG2 GLU A 139 2.252 2.996 14.612 1.00 0.40 H new ATOM 0 HG3 GLU A 139 1.742 3.614 13.054 1.00 0.40 H new ATOM 2186 N PRO A 140 1.109 -0.246 15.571 1.00 0.32 N ATOM 2187 CA PRO A 140 1.916 -1.025 16.520 1.00 0.34 C ATOM 2188 C PRO A 140 2.613 -2.202 15.843 1.00 0.32 C ATOM 2189 O PRO A 140 3.819 -2.388 15.984 1.00 0.34 O ATOM 2190 CB PRO A 140 0.899 -1.531 17.547 1.00 0.40 C ATOM 2191 CG PRO A 140 -0.437 -1.346 16.914 1.00 0.56 C ATOM 2192 CD PRO A 140 -0.300 -0.168 16.000 1.00 0.36 C ATOM 0 HA PRO A 140 2.712 -0.424 16.960 1.00 0.34 H new ATOM 0 HB2 PRO A 140 1.076 -2.579 17.790 1.00 0.40 H new ATOM 0 HB3 PRO A 140 0.972 -0.971 18.479 1.00 0.40 H new ATOM 0 HG2 PRO A 140 -0.733 -2.237 16.361 1.00 0.56 H new ATOM 0 HG3 PRO A 140 -1.205 -1.168 17.667 1.00 0.56 H new ATOM 0 HD2 PRO A 140 -0.984 -0.232 15.154 1.00 0.36 H new ATOM 0 HD3 PRO A 140 -0.515 0.769 16.514 1.00 0.36 H new ATOM 2200 N TRP A 141 1.839 -2.974 15.089 1.00 0.31 N ATOM 2201 CA TRP A 141 2.352 -4.132 14.360 1.00 0.32 C ATOM 2202 C TRP A 141 3.497 -3.719 13.440 1.00 0.31 C ATOM 2203 O TRP A 141 4.548 -4.349 13.418 1.00 0.36 O ATOM 2204 CB TRP A 141 1.221 -4.752 13.540 1.00 0.35 C ATOM 2205 CG TRP A 141 1.143 -6.242 13.637 1.00 0.36 C ATOM 2206 CD1 TRP A 141 2.049 -7.144 13.166 1.00 0.43 C ATOM 2207 CD2 TRP A 141 0.085 -7.004 14.229 1.00 0.63 C ATOM 2208 NE1 TRP A 141 1.619 -8.422 13.427 1.00 0.60 N ATOM 2209 CE2 TRP A 141 0.418 -8.363 14.081 1.00 0.70 C ATOM 2210 CE3 TRP A 141 -1.111 -6.669 14.871 1.00 0.91 C ATOM 2211 CZ2 TRP A 141 -0.401 -9.385 14.551 1.00 0.98 C ATOM 2212 CZ3 TRP A 141 -1.923 -7.685 15.336 1.00 1.19 C ATOM 2213 CH2 TRP A 141 -1.565 -9.029 15.175 1.00 1.20 C ATOM 0 H TRP A 141 0.839 -2.817 14.965 1.00 0.31 H new ATOM 0 HA TRP A 141 2.731 -4.864 15.073 1.00 0.32 H new ATOM 0 HB2 TRP A 141 0.273 -4.327 13.869 1.00 0.35 H new ATOM 0 HB3 TRP A 141 1.350 -4.473 12.494 1.00 0.35 H new ATOM 0 HD1 TRP A 141 2.970 -6.891 12.662 1.00 0.43 H new ATOM 0 HE1 TRP A 141 2.115 -9.277 13.174 1.00 0.60 H new ATOM 0 HE3 TRP A 141 -1.395 -5.635 15.001 1.00 0.91 H new ATOM 0 HZ2 TRP A 141 -0.127 -10.422 14.428 1.00 0.98 H new ATOM 0 HZ3 TRP A 141 -2.850 -7.438 15.832 1.00 1.19 H new ATOM 0 HH2 TRP A 141 -2.221 -9.800 15.551 1.00 1.20 H new ATOM 2224 N ILE A 142 3.275 -2.646 12.696 1.00 0.26 N ATOM 2225 CA ILE A 142 4.292 -2.049 11.836 1.00 0.26 C ATOM 2226 C ILE A 142 5.591 -1.823 12.593 1.00 0.29 C ATOM 2227 O ILE A 142 6.667 -2.220 12.142 1.00 0.32 O ATOM 2228 CB ILE A 142 3.776 -0.706 11.289 1.00 0.25 C ATOM 2229 CG1 ILE A 142 2.720 -0.967 10.229 1.00 0.28 C ATOM 2230 CG2 ILE A 142 4.908 0.142 10.733 1.00 0.28 C ATOM 2231 CD1 ILE A 142 1.669 0.104 10.142 1.00 0.26 C ATOM 0 H ILE A 142 2.379 -2.160 12.670 1.00 0.26 H new ATOM 0 HA ILE A 142 4.492 -2.737 11.014 1.00 0.26 H new ATOM 0 HB ILE A 142 3.330 -0.143 12.109 1.00 0.25 H new ATOM 0 HG12 ILE A 142 3.208 -1.063 9.259 1.00 0.28 H new ATOM 0 HG13 ILE A 142 2.236 -1.921 10.439 1.00 0.28 H new ATOM 0 HG21 ILE A 142 4.507 1.083 10.356 1.00 0.28 H new ATOM 0 HG22 ILE A 142 5.631 0.347 11.523 1.00 0.28 H new ATOM 0 HG23 ILE A 142 5.400 -0.394 9.921 1.00 0.28 H new ATOM 0 HD11 ILE A 142 0.951 -0.153 9.363 1.00 0.26 H new ATOM 0 HD12 ILE A 142 1.153 0.186 11.099 1.00 0.26 H new ATOM 0 HD13 ILE A 142 2.140 1.057 9.901 1.00 0.26 H new ATOM 2243 N GLN A 143 5.477 -1.181 13.743 1.00 0.30 N ATOM 2244 CA GLN A 143 6.625 -0.887 14.584 1.00 0.35 C ATOM 2245 C GLN A 143 7.354 -2.167 14.994 1.00 0.39 C ATOM 2246 O GLN A 143 8.580 -2.180 15.107 1.00 0.43 O ATOM 2247 CB GLN A 143 6.172 -0.118 15.816 1.00 0.41 C ATOM 2248 CG GLN A 143 5.434 1.168 15.479 1.00 0.43 C ATOM 2249 CD GLN A 143 6.304 2.161 14.738 1.00 0.48 C ATOM 2250 OE1 GLN A 143 7.521 2.203 14.924 1.00 0.57 O ATOM 2251 NE2 GLN A 143 5.685 2.962 13.887 1.00 0.52 N ATOM 0 H GLN A 143 4.589 -0.850 14.119 1.00 0.30 H new ATOM 0 HA GLN A 143 7.324 -0.276 14.013 1.00 0.35 H new ATOM 0 HB2 GLN A 143 5.523 -0.755 16.416 1.00 0.41 H new ATOM 0 HB3 GLN A 143 7.042 0.119 16.429 1.00 0.41 H new ATOM 0 HG2 GLN A 143 4.560 0.933 14.872 1.00 0.43 H new ATOM 0 HG3 GLN A 143 5.070 1.625 16.399 1.00 0.43 H new ATOM 0 HE21 GLN A 143 4.675 2.893 13.764 1.00 0.52 H new ATOM 0 HE22 GLN A 143 6.218 3.649 13.353 1.00 0.52 H new ATOM 2260 N GLU A 144 6.599 -3.247 15.187 1.00 0.40 N ATOM 2261 CA GLU A 144 7.172 -4.541 15.541 1.00 0.47 C ATOM 2262 C GLU A 144 8.009 -5.094 14.393 1.00 0.48 C ATOM 2263 O GLU A 144 8.878 -5.943 14.585 1.00 0.55 O ATOM 2264 CB GLU A 144 6.049 -5.519 15.857 1.00 0.51 C ATOM 2265 CG GLU A 144 5.055 -4.980 16.857 1.00 0.52 C ATOM 2266 CD GLU A 144 5.573 -4.990 18.278 1.00 0.61 C ATOM 2267 OE1 GLU A 144 6.212 -4.001 18.695 1.00 0.67 O ATOM 2268 OE2 GLU A 144 5.337 -5.984 18.991 1.00 0.78 O ATOM 0 H GLU A 144 5.582 -3.249 15.103 1.00 0.40 H new ATOM 0 HA GLU A 144 7.814 -4.410 16.412 1.00 0.47 H new ATOM 0 HB2 GLU A 144 5.526 -5.772 14.935 1.00 0.51 H new ATOM 0 HB3 GLU A 144 6.479 -6.443 16.244 1.00 0.51 H new ATOM 0 HG2 GLU A 144 4.789 -3.959 16.581 1.00 0.52 H new ATOM 0 HG3 GLU A 144 4.141 -5.572 16.806 1.00 0.52 H new ATOM 2275 N ASN A 145 7.730 -4.604 13.198 1.00 0.44 N ATOM 2276 CA ASN A 145 8.363 -5.112 11.989 1.00 0.48 C ATOM 2277 C ASN A 145 9.452 -4.155 11.538 1.00 0.47 C ATOM 2278 O ASN A 145 10.181 -4.422 10.580 1.00 0.57 O ATOM 2279 CB ASN A 145 7.332 -5.309 10.864 1.00 0.49 C ATOM 2280 CG ASN A 145 6.284 -6.373 11.174 1.00 0.58 C ATOM 2281 OD1 ASN A 145 5.886 -6.473 12.434 1.00 0.93 O flip ATOM 2282 ND2 ASN A 145 5.825 -7.084 10.280 1.00 0.54 N flip ATOM 0 H ASN A 145 7.064 -3.849 13.036 1.00 0.44 H new ATOM 0 HA ASN A 145 8.805 -6.083 12.215 1.00 0.48 H new ATOM 0 HB2 ASN A 145 6.829 -4.361 10.673 1.00 0.49 H new ATOM 0 HB3 ASN A 145 7.855 -5.582 9.947 1.00 0.49 H new ATOM 0 HD21 ASN A 145 6.157 -6.977 9.322 1.00 0.54 H new ATOM 0 HD22 ASN A 145 5.112 -7.780 10.498 1.00 0.54 H new ATOM 2289 N GLY A 146 9.549 -3.033 12.235 1.00 0.42 N ATOM 2290 CA GLY A 146 10.594 -2.077 11.962 1.00 0.45 C ATOM 2291 C GLY A 146 10.059 -0.698 11.635 1.00 0.44 C ATOM 2292 O GLY A 146 10.696 0.311 11.945 1.00 0.56 O ATOM 0 H GLY A 146 8.916 -2.769 12.990 1.00 0.42 H new ATOM 0 HA2 GLY A 146 11.253 -2.010 12.827 1.00 0.45 H new ATOM 0 HA3 GLY A 146 11.198 -2.434 11.128 1.00 0.45 H new ATOM 2296 N GLY A 147 8.892 -0.646 11.016 1.00 0.36 N ATOM 2297 CA GLY A 147 8.309 0.626 10.641 1.00 0.36 C ATOM 2298 C GLY A 147 8.017 0.702 9.157 1.00 0.38 C ATOM 2299 O GLY A 147 8.207 -0.276 8.432 1.00 0.49 O ATOM 0 H GLY A 147 8.335 -1.463 10.765 1.00 0.36 H new ATOM 0 HA2 GLY A 147 7.386 0.781 11.200 1.00 0.36 H new ATOM 0 HA3 GLY A 147 8.989 1.432 10.918 1.00 0.36 H new ATOM 2303 N TRP A 148 7.567 1.864 8.702 1.00 0.35 N ATOM 2304 CA TRP A 148 7.222 2.056 7.306 1.00 0.37 C ATOM 2305 C TRP A 148 8.476 2.263 6.475 1.00 0.38 C ATOM 2306 O TRP A 148 8.584 1.756 5.359 1.00 0.40 O ATOM 2307 CB TRP A 148 6.296 3.259 7.142 1.00 0.39 C ATOM 2308 CG TRP A 148 4.987 3.122 7.851 1.00 0.46 C ATOM 2309 CD1 TRP A 148 3.935 2.342 7.475 1.00 0.79 C ATOM 2310 CD2 TRP A 148 4.584 3.793 9.050 1.00 1.45 C ATOM 2311 NE1 TRP A 148 2.899 2.492 8.361 1.00 0.52 N ATOM 2312 CE2 TRP A 148 3.275 3.374 9.341 1.00 1.25 C ATOM 2313 CE3 TRP A 148 5.205 4.707 9.905 1.00 2.64 C ATOM 2314 CZ2 TRP A 148 2.574 3.838 10.451 1.00 2.17 C ATOM 2315 CZ3 TRP A 148 4.508 5.165 11.007 1.00 3.57 C ATOM 2316 CH2 TRP A 148 3.205 4.731 11.271 1.00 3.32 C ATOM 0 H TRP A 148 7.433 2.690 9.286 1.00 0.35 H new ATOM 0 HA TRP A 148 6.705 1.161 6.958 1.00 0.37 H new ATOM 0 HB2 TRP A 148 6.805 4.149 7.511 1.00 0.39 H new ATOM 0 HB3 TRP A 148 6.107 3.417 6.080 1.00 0.39 H new ATOM 0 HD1 TRP A 148 3.919 1.700 6.607 1.00 0.79 H new ATOM 0 HE1 TRP A 148 1.995 2.023 8.301 1.00 0.52 H new ATOM 0 HE3 TRP A 148 6.210 5.049 9.709 1.00 2.64 H new ATOM 0 HZ2 TRP A 148 1.568 3.504 10.657 1.00 2.17 H new ATOM 0 HZ3 TRP A 148 4.978 5.871 11.676 1.00 3.57 H new ATOM 0 HH2 TRP A 148 2.687 5.109 12.140 1.00 3.32 H new ATOM 2327 N ASP A 149 9.424 3.010 7.025 1.00 0.42 N ATOM 2328 CA ASP A 149 10.686 3.271 6.341 1.00 0.47 C ATOM 2329 C ASP A 149 11.432 1.968 6.108 1.00 0.47 C ATOM 2330 O ASP A 149 11.981 1.739 5.030 1.00 0.52 O ATOM 2331 CB ASP A 149 11.550 4.233 7.152 1.00 0.56 C ATOM 2332 CG ASP A 149 12.908 4.475 6.523 1.00 1.23 C ATOM 2333 OD1 ASP A 149 12.996 5.281 5.573 1.00 1.72 O ATOM 2334 OD2 ASP A 149 13.901 3.883 6.998 1.00 1.96 O ATOM 0 H ASP A 149 9.344 3.447 7.943 1.00 0.42 H new ATOM 0 HA ASP A 149 10.468 3.733 5.378 1.00 0.47 H new ATOM 0 HB2 ASP A 149 11.028 5.184 7.255 1.00 0.56 H new ATOM 0 HB3 ASP A 149 11.686 3.833 8.157 1.00 0.56 H new ATOM 2339 N THR A 150 11.426 1.109 7.123 1.00 0.47 N ATOM 2340 CA THR A 150 12.020 -0.210 7.008 1.00 0.51 C ATOM 2341 C THR A 150 11.390 -0.991 5.861 1.00 0.50 C ATOM 2342 O THR A 150 12.074 -1.729 5.158 1.00 0.56 O ATOM 2343 CB THR A 150 11.878 -1.012 8.317 1.00 0.56 C ATOM 2344 OG1 THR A 150 12.583 -0.346 9.373 1.00 0.62 O ATOM 2345 CG2 THR A 150 12.417 -2.425 8.150 1.00 0.67 C ATOM 0 H THR A 150 11.014 1.308 8.035 1.00 0.47 H new ATOM 0 HA THR A 150 13.081 -0.066 6.804 1.00 0.51 H new ATOM 0 HB THR A 150 10.819 -1.075 8.568 1.00 0.56 H new ATOM 0 HG1 THR A 150 12.489 -0.858 10.203 1.00 0.62 H new ATOM 0 HG21 THR A 150 12.305 -2.970 9.087 1.00 0.67 H new ATOM 0 HG22 THR A 150 11.861 -2.936 7.364 1.00 0.67 H new ATOM 0 HG23 THR A 150 13.472 -2.382 7.879 1.00 0.67 H new ATOM 2353 N PHE A 151 10.094 -0.802 5.643 1.00 0.45 N ATOM 2354 CA PHE A 151 9.419 -1.506 4.568 1.00 0.47 C ATOM 2355 C PHE A 151 10.044 -1.141 3.231 1.00 0.48 C ATOM 2356 O PHE A 151 10.233 -1.996 2.376 1.00 0.55 O ATOM 2357 CB PHE A 151 7.920 -1.207 4.538 1.00 0.47 C ATOM 2358 CG PHE A 151 7.250 -1.811 3.338 1.00 1.18 C ATOM 2359 CD1 PHE A 151 7.034 -3.178 3.270 1.00 1.80 C ATOM 2360 CD2 PHE A 151 6.873 -1.020 2.266 1.00 1.75 C ATOM 2361 CE1 PHE A 151 6.449 -3.743 2.156 1.00 2.65 C ATOM 2362 CE2 PHE A 151 6.290 -1.581 1.148 1.00 2.61 C ATOM 2363 CZ PHE A 151 6.078 -2.943 1.093 1.00 3.00 C ATOM 0 H PHE A 151 9.500 -0.177 6.188 1.00 0.45 H new ATOM 0 HA PHE A 151 9.540 -2.574 4.752 1.00 0.47 H new ATOM 0 HB2 PHE A 151 7.455 -1.593 5.445 1.00 0.47 H new ATOM 0 HB3 PHE A 151 7.766 -0.128 4.535 1.00 0.47 H new ATOM 0 HD1 PHE A 151 7.327 -3.807 4.097 1.00 1.80 H new ATOM 0 HD2 PHE A 151 7.037 0.047 2.305 1.00 1.75 H new ATOM 0 HE1 PHE A 151 6.281 -4.809 2.115 1.00 2.65 H new ATOM 0 HE2 PHE A 151 6.000 -0.955 0.317 1.00 2.61 H new ATOM 0 HZ PHE A 151 5.622 -3.384 0.219 1.00 3.00 H new ATOM 2373 N VAL A 152 10.386 0.126 3.064 1.00 0.45 N ATOM 2374 CA VAL A 152 10.993 0.583 1.826 1.00 0.49 C ATOM 2375 C VAL A 152 12.480 0.201 1.788 1.00 0.57 C ATOM 2376 O VAL A 152 13.073 0.057 0.720 1.00 0.64 O ATOM 2377 CB VAL A 152 10.793 2.104 1.588 1.00 0.60 C ATOM 2378 CG1 VAL A 152 9.695 2.662 2.486 1.00 1.15 C ATOM 2379 CG2 VAL A 152 12.093 2.867 1.755 1.00 0.91 C ATOM 0 H VAL A 152 10.254 0.853 3.767 1.00 0.45 H new ATOM 0 HA VAL A 152 10.481 0.077 1.007 1.00 0.49 H new ATOM 0 HB VAL A 152 10.471 2.238 0.555 1.00 0.60 H new ATOM 0 HG11 VAL A 152 9.578 3.729 2.297 1.00 1.15 H new ATOM 0 HG12 VAL A 152 8.756 2.150 2.274 1.00 1.15 H new ATOM 0 HG13 VAL A 152 9.965 2.506 3.530 1.00 1.15 H new ATOM 0 HG21 VAL A 152 11.917 3.929 1.581 1.00 0.91 H new ATOM 0 HG22 VAL A 152 12.472 2.723 2.767 1.00 0.91 H new ATOM 0 HG23 VAL A 152 12.826 2.499 1.037 1.00 0.91 H new ATOM 2389 N GLU A 153 13.085 0.053 2.956 1.00 0.59 N ATOM 2390 CA GLU A 153 14.440 -0.476 3.042 1.00 0.69 C ATOM 2391 C GLU A 153 14.486 -1.877 2.431 1.00 0.70 C ATOM 2392 O GLU A 153 15.417 -2.231 1.708 1.00 0.80 O ATOM 2393 CB GLU A 153 14.893 -0.513 4.503 1.00 0.76 C ATOM 2394 CG GLU A 153 15.041 0.870 5.116 1.00 0.80 C ATOM 2395 CD GLU A 153 16.297 1.574 4.656 1.00 1.31 C ATOM 2396 OE1 GLU A 153 16.261 2.248 3.606 1.00 1.67 O ATOM 2397 OE2 GLU A 153 17.336 1.450 5.340 1.00 1.58 O ATOM 0 H GLU A 153 12.663 0.290 3.854 1.00 0.59 H new ATOM 0 HA GLU A 153 15.117 0.172 2.485 1.00 0.69 H new ATOM 0 HB2 GLU A 153 14.173 -1.087 5.086 1.00 0.76 H new ATOM 0 HB3 GLU A 153 15.847 -1.037 4.568 1.00 0.76 H new ATOM 0 HG2 GLU A 153 14.173 1.475 4.855 1.00 0.80 H new ATOM 0 HG3 GLU A 153 15.054 0.783 6.202 1.00 0.80 H new ATOM 2404 N LEU A 154 13.464 -2.662 2.746 1.00 0.67 N ATOM 2405 CA LEU A 154 13.298 -4.004 2.227 1.00 0.72 C ATOM 2406 C LEU A 154 12.708 -4.027 0.810 1.00 0.74 C ATOM 2407 O LEU A 154 13.332 -4.527 -0.126 1.00 0.83 O ATOM 2408 CB LEU A 154 12.375 -4.770 3.176 1.00 0.72 C ATOM 2409 CG LEU A 154 13.027 -5.285 4.462 1.00 0.83 C ATOM 2410 CD1 LEU A 154 13.724 -4.185 5.243 1.00 1.30 C ATOM 2411 CD2 LEU A 154 11.993 -5.973 5.336 1.00 1.14 C ATOM 0 H LEU A 154 12.718 -2.375 3.380 1.00 0.67 H new ATOM 0 HA LEU A 154 14.283 -4.467 2.164 1.00 0.72 H new ATOM 0 HB2 LEU A 154 11.543 -4.121 3.447 1.00 0.72 H new ATOM 0 HB3 LEU A 154 11.955 -5.620 2.638 1.00 0.72 H new ATOM 0 HG LEU A 154 13.792 -6.003 4.167 1.00 0.83 H new ATOM 0 HD11 LEU A 154 14.169 -4.605 6.145 1.00 1.30 H new ATOM 0 HD12 LEU A 154 14.505 -3.740 4.627 1.00 1.30 H new ATOM 0 HD13 LEU A 154 12.999 -3.419 5.519 1.00 1.30 H new ATOM 0 HD21 LEU A 154 12.469 -6.335 6.247 1.00 1.14 H new ATOM 0 HD22 LEU A 154 11.206 -5.265 5.595 1.00 1.14 H new ATOM 0 HD23 LEU A 154 11.560 -6.814 4.794 1.00 1.14 H new ATOM 2423 N TYR A 155 11.508 -3.477 0.665 1.00 0.69 N ATOM 2424 CA TYR A 155 10.715 -3.626 -0.556 1.00 0.78 C ATOM 2425 C TYR A 155 10.437 -2.257 -1.175 1.00 0.77 C ATOM 2426 O TYR A 155 9.438 -2.059 -1.864 1.00 1.15 O ATOM 2427 CB TYR A 155 9.396 -4.319 -0.199 1.00 0.86 C ATOM 2428 CG TYR A 155 8.803 -5.186 -1.294 1.00 1.40 C ATOM 2429 CD1 TYR A 155 8.104 -4.614 -2.348 1.00 2.24 C ATOM 2430 CD2 TYR A 155 8.959 -6.567 -1.286 1.00 1.83 C ATOM 2431 CE1 TYR A 155 7.577 -5.391 -3.362 1.00 3.16 C ATOM 2432 CE2 TYR A 155 8.431 -7.351 -2.295 1.00 2.65 C ATOM 2433 CZ TYR A 155 7.690 -6.793 -3.275 1.00 3.24 C ATOM 2434 OH TYR A 155 7.223 -7.534 -4.342 1.00 4.24 O ATOM 0 H TYR A 155 11.056 -2.916 1.387 1.00 0.69 H new ATOM 0 HA TYR A 155 11.265 -4.224 -1.283 1.00 0.78 H new ATOM 0 HB2 TYR A 155 9.557 -4.937 0.684 1.00 0.86 H new ATOM 0 HB3 TYR A 155 8.666 -3.557 0.074 1.00 0.86 H new ATOM 0 HD1 TYR A 155 7.970 -3.543 -2.376 1.00 2.24 H new ATOM 0 HD2 TYR A 155 9.502 -7.035 -0.478 1.00 1.83 H new ATOM 0 HE1 TYR A 155 7.087 -4.931 -4.207 1.00 3.16 H new ATOM 0 HE2 TYR A 155 8.613 -8.416 -2.299 1.00 2.65 H new ATOM 0 HH TYR A 155 7.358 -8.488 -4.162 1.00 4.24 H new ATOM 2444 N GLY A 156 11.332 -1.319 -0.911 1.00 0.66 N ATOM 2445 CA GLY A 156 11.189 0.033 -1.407 1.00 0.64 C ATOM 2446 C GLY A 156 11.072 0.144 -2.904 1.00 0.78 C ATOM 2447 O GLY A 156 11.426 -0.768 -3.658 1.00 1.10 O ATOM 0 H GLY A 156 12.170 -1.475 -0.351 1.00 0.66 H new ATOM 0 HA2 GLY A 156 10.305 0.481 -0.953 1.00 0.64 H new ATOM 0 HA3 GLY A 156 12.048 0.619 -1.079 1.00 0.64 H new ATOM 2451 N ASN A 157 10.570 1.294 -3.301 1.00 0.70 N ATOM 2452 CA ASN A 157 10.374 1.661 -4.688 1.00 0.80 C ATOM 2453 C ASN A 157 11.639 1.439 -5.512 1.00 1.14 C ATOM 2454 O ASN A 157 12.744 1.731 -5.053 1.00 1.29 O ATOM 2455 CB ASN A 157 9.974 3.125 -4.706 1.00 0.70 C ATOM 2456 CG ASN A 157 9.682 3.649 -6.087 1.00 0.77 C ATOM 2457 OD1 ASN A 157 8.442 3.524 -6.519 1.00 0.88 O flip ATOM 2458 ND2 ASN A 157 10.562 4.166 -6.758 1.00 0.76 N flip ATOM 0 H ASN A 157 10.278 2.021 -2.648 1.00 0.70 H new ATOM 0 HA ASN A 157 9.601 1.037 -5.136 1.00 0.80 H new ATOM 0 HB2 ASN A 157 9.092 3.261 -4.080 1.00 0.70 H new ATOM 0 HB3 ASN A 157 10.774 3.718 -4.262 1.00 0.70 H new ATOM 0 HD21 ASN A 157 11.509 4.243 -6.386 1.00 0.76 H new ATOM 0 HD22 ASN A 157 10.350 4.521 -7.691 1.00 0.76 H new ATOM 2969 N GLY B1005 -11.232 -13.717 2.764 1.00 1.02 N ATOM 2970 CA GLY B1005 -10.735 -14.146 4.072 1.00 1.07 C ATOM 2971 C GLY B1005 -9.704 -15.273 3.980 1.00 1.05 C ATOM 2972 O GLY B1005 -8.742 -15.313 4.744 1.00 1.20 O ATOM 0 HA2 GLY B1005 -10.288 -13.293 4.582 1.00 1.07 H new ATOM 0 HA3 GLY B1005 -11.575 -14.478 4.682 1.00 1.07 H new ATOM 2976 N ARG B1006 -9.925 -16.199 3.049 1.00 1.08 N ATOM 2977 CA ARG B1006 -8.979 -17.281 2.782 1.00 1.08 C ATOM 2978 C ARG B1006 -7.966 -16.880 1.699 1.00 1.04 C ATOM 2979 O ARG B1006 -6.776 -17.160 1.817 1.00 1.10 O ATOM 2980 CB ARG B1006 -9.715 -18.553 2.328 1.00 1.14 C ATOM 2981 CG ARG B1006 -10.381 -19.358 3.442 1.00 1.24 C ATOM 2982 CD ARG B1006 -11.402 -18.539 4.211 1.00 1.55 C ATOM 2983 NE ARG B1006 -12.298 -19.374 5.014 1.00 1.88 N ATOM 2984 CZ ARG B1006 -12.524 -19.201 6.318 1.00 2.43 C ATOM 2985 NH1 ARG B1006 -11.812 -18.329 7.019 1.00 2.88 N ATOM 2986 NH2 ARG B1006 -13.447 -19.933 6.927 1.00 2.87 N ATOM 0 H ARG B1006 -10.759 -16.221 2.462 1.00 1.08 H new ATOM 0 HA ARG B1006 -8.448 -17.479 3.713 1.00 1.08 H new ATOM 0 HB2 ARG B1006 -10.477 -18.271 1.601 1.00 1.14 H new ATOM 0 HB3 ARG B1006 -9.005 -19.198 1.811 1.00 1.14 H new ATOM 0 HG2 ARG B1006 -10.869 -20.233 3.013 1.00 1.24 H new ATOM 0 HG3 ARG B1006 -9.618 -19.723 4.130 1.00 1.24 H new ATOM 0 HD2 ARG B1006 -10.883 -17.836 4.863 1.00 1.55 H new ATOM 0 HD3 ARG B1006 -11.992 -17.948 3.510 1.00 1.55 H new ATOM 0 HE ARG B1006 -12.782 -20.140 4.545 1.00 1.88 H new ATOM 0 HH11 ARG B1006 -11.082 -17.782 6.562 1.00 2.88 H new ATOM 0 HH12 ARG B1006 -11.994 -18.206 8.015 1.00 2.88 H new ATOM 0 HH21 ARG B1006 -13.980 -20.624 6.399 1.00 2.87 H new ATOM 0 HH22 ARG B1006 -13.624 -19.805 7.923 1.00 2.87 H new ATOM 3000 N ALA B1007 -8.449 -16.213 0.649 1.00 1.02 N ATOM 3001 CA ALA B1007 -7.631 -15.928 -0.535 1.00 1.05 C ATOM 3002 C ALA B1007 -6.553 -14.900 -0.260 1.00 1.02 C ATOM 3003 O ALA B1007 -5.369 -15.212 -0.313 1.00 1.31 O ATOM 3004 CB ALA B1007 -8.495 -15.432 -1.678 1.00 1.10 C ATOM 0 H ALA B1007 -9.404 -15.859 0.593 1.00 1.02 H new ATOM 0 HA ALA B1007 -7.150 -16.867 -0.807 1.00 1.05 H new ATOM 0 HB1 ALA B1007 -7.868 -15.227 -2.546 1.00 1.10 H new ATOM 0 HB2 ALA B1007 -9.231 -16.194 -1.934 1.00 1.10 H new ATOM 0 HB3 ALA B1007 -9.008 -14.518 -1.377 1.00 1.10 H new ATOM 3010 N LEU B1008 -6.975 -13.678 0.019 1.00 0.84 N ATOM 3011 CA LEU B1008 -6.059 -12.556 0.176 1.00 0.83 C ATOM 3012 C LEU B1008 -5.049 -12.854 1.267 1.00 0.78 C ATOM 3013 O LEU B1008 -3.863 -12.555 1.139 1.00 0.79 O ATOM 3014 CB LEU B1008 -6.836 -11.282 0.514 1.00 0.90 C ATOM 3015 CG LEU B1008 -7.679 -10.689 -0.614 1.00 0.88 C ATOM 3016 CD1 LEU B1008 -6.837 -10.537 -1.863 1.00 1.13 C ATOM 3017 CD2 LEU B1008 -8.909 -11.530 -0.901 1.00 1.33 C ATOM 0 H LEU B1008 -7.958 -13.434 0.143 1.00 0.84 H new ATOM 0 HA LEU B1008 -5.528 -12.405 -0.764 1.00 0.83 H new ATOM 0 HB2 LEU B1008 -7.493 -11.494 1.358 1.00 0.90 H new ATOM 0 HB3 LEU B1008 -6.126 -10.525 0.846 1.00 0.90 H new ATOM 0 HG LEU B1008 -8.026 -9.707 -0.292 1.00 0.88 H new ATOM 0 HD11 LEU B1008 -7.445 -10.114 -2.662 1.00 1.13 H new ATOM 0 HD12 LEU B1008 -5.996 -9.874 -1.657 1.00 1.13 H new ATOM 0 HD13 LEU B1008 -6.462 -11.513 -2.170 1.00 1.13 H new ATOM 0 HD21 LEU B1008 -9.481 -11.074 -1.709 1.00 1.33 H new ATOM 0 HD22 LEU B1008 -8.603 -12.534 -1.195 1.00 1.33 H new ATOM 0 HD23 LEU B1008 -9.528 -11.587 -0.006 1.00 1.33 H new ATOM 3029 N ALA B1009 -5.545 -13.468 2.322 1.00 0.78 N ATOM 3030 CA ALA B1009 -4.727 -13.907 3.439 1.00 0.78 C ATOM 3031 C ALA B1009 -3.580 -14.785 2.955 1.00 0.80 C ATOM 3032 O ALA B1009 -2.447 -14.699 3.435 1.00 0.76 O ATOM 3033 CB ALA B1009 -5.578 -14.685 4.428 1.00 0.88 C ATOM 0 H ALA B1009 -6.537 -13.679 2.431 1.00 0.78 H new ATOM 0 HA ALA B1009 -4.312 -13.026 3.927 1.00 0.78 H new ATOM 0 HB1 ALA B1009 -4.958 -15.011 5.263 1.00 0.88 H new ATOM 0 HB2 ALA B1009 -6.380 -14.047 4.799 1.00 0.88 H new ATOM 0 HB3 ALA B1009 -6.007 -15.556 3.933 1.00 0.88 H new ATOM 3039 N ALA B1010 -3.900 -15.638 1.993 1.00 0.89 N ATOM 3040 CA ALA B1010 -2.956 -16.590 1.443 1.00 0.94 C ATOM 3041 C ALA B1010 -2.039 -15.927 0.419 1.00 0.92 C ATOM 3042 O ALA B1010 -0.834 -16.180 0.387 1.00 0.92 O ATOM 3043 CB ALA B1010 -3.713 -17.749 0.812 1.00 1.03 C ATOM 0 H ALA B1010 -4.828 -15.687 1.572 1.00 0.89 H new ATOM 0 HA ALA B1010 -2.329 -16.967 2.251 1.00 0.94 H new ATOM 0 HB1 ALA B1010 -3.003 -18.465 0.398 1.00 1.03 H new ATOM 0 HB2 ALA B1010 -4.324 -18.240 1.570 1.00 1.03 H new ATOM 0 HB3 ALA B1010 -4.355 -17.373 0.015 1.00 1.03 H new ATOM 3049 N PHE B1011 -2.624 -15.069 -0.407 1.00 0.93 N ATOM 3050 CA PHE B1011 -1.892 -14.370 -1.456 1.00 0.93 C ATOM 3051 C PHE B1011 -0.945 -13.318 -0.876 1.00 0.85 C ATOM 3052 O PHE B1011 0.135 -13.074 -1.418 1.00 0.89 O ATOM 3053 CB PHE B1011 -2.872 -13.702 -2.430 1.00 0.97 C ATOM 3054 CG PHE B1011 -3.511 -14.648 -3.411 1.00 1.12 C ATOM 3055 CD1 PHE B1011 -2.804 -15.077 -4.519 1.00 1.50 C ATOM 3056 CD2 PHE B1011 -4.814 -15.100 -3.242 1.00 1.18 C ATOM 3057 CE1 PHE B1011 -3.376 -15.936 -5.432 1.00 1.67 C ATOM 3058 CE2 PHE B1011 -5.391 -15.954 -4.152 1.00 1.32 C ATOM 3059 CZ PHE B1011 -4.672 -16.376 -5.251 1.00 1.46 C ATOM 0 H PHE B1011 -3.617 -14.838 -0.369 1.00 0.93 H new ATOM 0 HA PHE B1011 -1.293 -15.109 -1.989 1.00 0.93 H new ATOM 0 HB2 PHE B1011 -3.656 -13.208 -1.856 1.00 0.97 H new ATOM 0 HB3 PHE B1011 -2.344 -12.925 -2.983 1.00 0.97 H new ATOM 0 HD1 PHE B1011 -1.791 -14.735 -4.671 1.00 1.50 H new ATOM 0 HD2 PHE B1011 -5.382 -14.776 -2.383 1.00 1.18 H new ATOM 0 HE1 PHE B1011 -2.810 -16.266 -6.290 1.00 1.67 H new ATOM 0 HE2 PHE B1011 -6.406 -16.294 -4.007 1.00 1.32 H new ATOM 0 HZ PHE B1011 -5.121 -17.048 -5.967 1.00 1.46 H new ATOM 3069 N GLY B1012 -1.353 -12.706 0.226 1.00 0.78 N ATOM 3070 CA GLY B1012 -0.584 -11.627 0.814 1.00 0.72 C ATOM 3071 C GLY B1012 0.706 -12.089 1.453 1.00 0.73 C ATOM 3072 O GLY B1012 1.658 -11.318 1.570 1.00 0.78 O ATOM 0 H GLY B1012 -2.210 -12.940 0.727 1.00 0.78 H new ATOM 0 HA2 GLY B1012 -0.356 -10.891 0.043 1.00 0.72 H new ATOM 0 HA3 GLY B1012 -1.193 -11.124 1.565 1.00 0.72 H new ATOM 3076 N ASP B1013 0.749 -13.349 1.847 1.00 0.78 N ATOM 3077 CA ASP B1013 1.918 -13.896 2.524 1.00 0.86 C ATOM 3078 C ASP B1013 3.070 -14.118 1.540 1.00 0.93 C ATOM 3079 O ASP B1013 4.180 -14.479 1.929 1.00 1.06 O ATOM 3080 CB ASP B1013 1.548 -15.204 3.229 1.00 0.98 C ATOM 3081 CG ASP B1013 2.663 -15.737 4.106 1.00 1.18 C ATOM 3082 OD1 ASP B1013 3.119 -15.004 5.010 1.00 1.90 O ATOM 3083 OD2 ASP B1013 3.092 -16.893 3.893 1.00 1.48 O ATOM 0 H ASP B1013 -0.011 -14.016 1.711 1.00 0.78 H new ATOM 0 HA ASP B1013 2.254 -13.176 3.270 1.00 0.86 H new ATOM 0 HB2 ASP B1013 0.659 -15.043 3.838 1.00 0.98 H new ATOM 0 HB3 ASP B1013 1.291 -15.954 2.481 1.00 0.98 H new ATOM 3088 N CYS B1014 2.808 -13.874 0.261 1.00 0.93 N ATOM 3089 CA CYS B1014 3.823 -14.045 -0.769 1.00 1.06 C ATOM 3090 C CYS B1014 4.657 -12.776 -0.902 1.00 1.08 C ATOM 3091 O CYS B1014 5.723 -12.779 -1.519 1.00 1.44 O ATOM 3092 CB CYS B1014 3.173 -14.373 -2.110 1.00 1.12 C ATOM 3093 SG CYS B1014 1.926 -15.695 -2.036 1.00 1.34 S ATOM 0 H CYS B1014 1.903 -13.558 -0.086 1.00 0.93 H new ATOM 0 HA CYS B1014 4.471 -14.872 -0.478 1.00 1.06 H new ATOM 0 HB2 CYS B1014 2.705 -13.471 -2.504 1.00 1.12 H new ATOM 0 HB3 CYS B1014 3.951 -14.663 -2.816 1.00 1.12 H new ATOM 0 HG CYS B1014 0.802 -15.207 -1.602 1.00 1.34 H new