USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 679 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 55 GLN : amide:sc= -1.57 K(o=-2.7,f=-4.2!) USER MOD Set 1.2: A 58 SER OG : rot -6:sc= -1.11! USER MOD Single : A 22 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0181) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0.534 K(o=0.53,f=-0.0037) USER MOD Single : A 34 HIS : no HD1:sc= -0.277 X(o=-0.28,f=0.026) USER MOD Single : A 35 ASN : amide:sc= -0.411 K(o=-0.41,f=-4.9!) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 42 THR OG1 : rot 140:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -136:sc= 0.698 (180deg=0.149) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -108:sc= -2.41! (180deg=-4.65!) USER MOD Single : A 56 THR OG1 : rot 69:sc= 0.436 USER MOD Single : A 57 GLN : amide:sc= 0.128 X(o=0.13,f=-0.19) USER MOD Single : A 60 THR OG1 : rot 180:sc=-0.00216 USER MOD Single : A 62 ASN : amide:sc= -0.401 X(o=-0.4,f=-0.16) USER MOD Single : A 63 SER OG : rot 140:sc= -0.0315 USER MOD Single : A 67 GLN :FLIP amide:sc= 0.736 F(o=0,f=0.74) USER MOD Single : A 82 GLN : amide:sc= -0.0717 X(o=-0.072,f=-0.12) USER MOD Single : A 86 THR OG1 : rot 58:sc= -0.175 USER MOD Single : A 89 SER OG : rot 160:sc=-0.00109 USER MOD Single : A 90 MET CE :methyl -177:sc= -1.59! (180deg=-1.63!) USER MOD Single : A 91 HIS :FLIP no HE2:sc= 0.0531 F(o=-0.45,f=0.053) USER MOD Single : A 94 CYS SG : rot -8:sc= -0.975! USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 98 TYR OH : rot 180:sc= -0.214 USER MOD Single : A 103 GLN : amide:sc= -0.139 X(o=-0.14,f=-0.048) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 21 3.332 -2.872 -3.874 1.00 0.00 N ATOM 2 CA GLU A 21 4.809 -2.971 -3.898 1.00 0.00 C ATOM 3 C GLU A 21 5.261 -4.124 -2.984 1.00 0.00 C ATOM 4 O GLU A 21 5.924 -5.068 -3.440 1.00 0.00 O ATOM 5 CB GLU A 21 5.445 -1.623 -3.489 1.00 0.00 C ATOM 6 CG GLU A 21 6.981 -1.584 -3.571 1.00 0.00 C ATOM 7 CD GLU A 21 7.561 -0.201 -3.253 1.00 0.00 C ATOM 8 OE1 GLU A 21 7.782 0.107 -2.060 1.00 0.00 O ATOM 9 OE2 GLU A 21 7.768 0.596 -4.189 1.00 0.00 O ATOM 0 HA GLU A 21 5.148 -3.191 -4.910 1.00 0.00 H new ATOM 0 HB2 GLU A 21 5.041 -0.838 -4.128 1.00 0.00 H new ATOM 0 HB3 GLU A 21 5.143 -1.390 -2.468 1.00 0.00 H new ATOM 0 HG2 GLU A 21 7.395 -2.315 -2.876 1.00 0.00 H new ATOM 0 HG3 GLU A 21 7.294 -1.882 -4.572 1.00 0.00 H new ATOM 16 N LYS A 22 4.892 -4.046 -1.686 1.00 0.00 N ATOM 17 CA LYS A 22 5.060 -5.167 -0.744 1.00 0.00 C ATOM 18 C LYS A 22 3.863 -6.116 -0.896 1.00 0.00 C ATOM 19 O LYS A 22 2.746 -5.662 -1.199 1.00 0.00 O ATOM 20 CB LYS A 22 5.250 -4.656 0.727 1.00 0.00 C ATOM 21 CG LYS A 22 4.035 -3.941 1.402 1.00 0.00 C ATOM 22 CD LYS A 22 3.060 -4.902 2.142 1.00 0.00 C ATOM 23 CE LYS A 22 3.726 -5.665 3.303 1.00 0.00 C ATOM 24 NZ LYS A 22 4.213 -4.749 4.370 1.00 0.00 N ATOM 0 H LYS A 22 4.475 -3.214 -1.269 1.00 0.00 H new ATOM 0 HA LYS A 22 5.970 -5.719 -0.979 1.00 0.00 H new ATOM 0 HB2 LYS A 22 5.526 -5.509 1.347 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.095 -3.967 0.738 1.00 0.00 H new ATOM 0 HG2 LYS A 22 4.410 -3.204 2.112 1.00 0.00 H new ATOM 0 HG3 LYS A 22 3.480 -3.395 0.640 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.218 -4.328 2.528 1.00 0.00 H new ATOM 0 HD3 LYS A 22 2.656 -5.620 1.428 1.00 0.00 H new ATOM 0 HE2 LYS A 22 3.012 -6.370 3.729 1.00 0.00 H new ATOM 0 HE3 LYS A 22 4.562 -6.250 2.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 4.577 -5.308 5.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 4.974 -4.149 3.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.429 -4.149 4.697 1.00 0.00 H new ATOM 38 N VAL A 23 4.081 -7.427 -0.685 1.00 0.00 N ATOM 39 CA VAL A 23 3.047 -8.440 -0.947 1.00 0.00 C ATOM 40 C VAL A 23 3.158 -9.652 0.007 1.00 0.00 C ATOM 41 O VAL A 23 4.257 -10.143 0.299 1.00 0.00 O ATOM 42 CB VAL A 23 3.096 -8.907 -2.456 1.00 0.00 C ATOM 43 CG1 VAL A 23 4.487 -9.457 -2.856 1.00 0.00 C ATOM 44 CG2 VAL A 23 1.979 -9.928 -2.764 1.00 0.00 C ATOM 0 H VAL A 23 4.961 -7.807 -0.335 1.00 0.00 H new ATOM 0 HA VAL A 23 2.081 -7.972 -0.755 1.00 0.00 H new ATOM 0 HB VAL A 23 2.919 -8.022 -3.067 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.470 -9.765 -3.902 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.239 -8.680 -2.719 1.00 0.00 H new ATOM 0 HG13 VAL A 23 4.733 -10.314 -2.230 1.00 0.00 H new ATOM 0 HG21 VAL A 23 2.040 -10.229 -3.810 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.100 -10.804 -2.126 1.00 0.00 H new ATOM 0 HG23 VAL A 23 1.007 -9.473 -2.574 1.00 0.00 H new ATOM 54 N THR A 24 1.995 -10.098 0.511 1.00 0.00 N ATOM 55 CA THR A 24 1.850 -11.365 1.226 1.00 0.00 C ATOM 56 C THR A 24 1.712 -12.492 0.183 1.00 0.00 C ATOM 57 O THR A 24 0.691 -12.583 -0.506 1.00 0.00 O ATOM 58 CB THR A 24 0.581 -11.330 2.145 1.00 0.00 C ATOM 59 OG1 THR A 24 0.647 -10.189 3.018 1.00 0.00 O ATOM 60 CG2 THR A 24 0.417 -12.616 2.981 1.00 0.00 C ATOM 0 H THR A 24 1.122 -9.578 0.429 1.00 0.00 H new ATOM 0 HA THR A 24 2.722 -11.537 1.857 1.00 0.00 H new ATOM 0 HB THR A 24 -0.289 -11.257 1.492 1.00 0.00 H new ATOM 0 HG1 THR A 24 -0.148 -10.168 3.590 1.00 0.00 H new ATOM 0 HG21 THR A 24 -0.478 -12.537 3.599 1.00 0.00 H new ATOM 0 HG22 THR A 24 0.323 -13.474 2.315 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.289 -12.748 3.621 1.00 0.00 H new ATOM 68 N LEU A 25 2.751 -13.323 0.054 1.00 0.00 N ATOM 69 CA LEU A 25 2.781 -14.427 -0.917 1.00 0.00 C ATOM 70 C LEU A 25 2.275 -15.716 -0.247 1.00 0.00 C ATOM 71 O LEU A 25 2.983 -16.345 0.551 1.00 0.00 O ATOM 72 CB LEU A 25 4.222 -14.582 -1.481 1.00 0.00 C ATOM 73 CG LEU A 25 4.721 -13.374 -2.349 1.00 0.00 C ATOM 74 CD1 LEU A 25 6.239 -13.452 -2.631 1.00 0.00 C ATOM 75 CD2 LEU A 25 3.906 -13.261 -3.668 1.00 0.00 C ATOM 0 H LEU A 25 3.597 -13.251 0.619 1.00 0.00 H new ATOM 0 HA LEU A 25 2.120 -14.213 -1.757 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.910 -14.722 -0.648 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.265 -15.488 -2.085 1.00 0.00 H new ATOM 0 HG LEU A 25 4.552 -12.467 -1.769 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.541 -12.596 -3.235 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.785 -13.442 -1.688 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.462 -14.373 -3.170 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.272 -12.416 -4.251 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.021 -14.178 -4.246 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.852 -13.110 -3.433 1.00 0.00 H new ATOM 87 N VAL A 26 1.023 -16.075 -0.561 1.00 0.00 N ATOM 88 CA VAL A 26 0.349 -17.260 -0.020 1.00 0.00 C ATOM 89 C VAL A 26 0.567 -18.430 -0.985 1.00 0.00 C ATOM 90 O VAL A 26 0.121 -18.391 -2.136 1.00 0.00 O ATOM 91 CB VAL A 26 -1.195 -16.996 0.163 1.00 0.00 C ATOM 92 CG1 VAL A 26 -1.966 -18.281 0.581 1.00 0.00 C ATOM 93 CG2 VAL A 26 -1.452 -15.826 1.153 1.00 0.00 C ATOM 0 H VAL A 26 0.442 -15.541 -1.208 1.00 0.00 H new ATOM 0 HA VAL A 26 0.767 -17.495 0.959 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.587 -16.700 -0.810 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.025 -18.049 0.695 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.842 -19.045 -0.186 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.572 -18.650 1.528 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.525 -15.668 1.259 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.024 -16.071 2.125 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.987 -14.917 0.771 1.00 0.00 H new ATOM 103 N ARG A 27 1.271 -19.454 -0.501 1.00 0.00 N ATOM 104 CA ARG A 27 1.556 -20.684 -1.253 1.00 0.00 C ATOM 105 C ARG A 27 0.360 -21.647 -1.111 1.00 0.00 C ATOM 106 O ARG A 27 -0.496 -21.442 -0.235 1.00 0.00 O ATOM 107 CB ARG A 27 2.879 -21.301 -0.721 1.00 0.00 C ATOM 108 CG ARG A 27 3.459 -22.466 -1.552 1.00 0.00 C ATOM 109 CD ARG A 27 4.834 -22.918 -1.036 1.00 0.00 C ATOM 110 NE ARG A 27 5.344 -24.090 -1.776 1.00 0.00 N ATOM 111 CZ ARG A 27 6.557 -24.198 -2.340 1.00 0.00 C ATOM 112 NH1 ARG A 27 7.393 -23.168 -2.363 1.00 0.00 N ATOM 113 NH2 ARG A 27 6.910 -25.343 -2.896 1.00 0.00 N ATOM 0 H ARG A 27 1.667 -19.455 0.439 1.00 0.00 H new ATOM 0 HA ARG A 27 1.688 -20.477 -2.315 1.00 0.00 H new ATOM 0 HB2 ARG A 27 3.629 -20.512 -0.664 1.00 0.00 H new ATOM 0 HB3 ARG A 27 2.710 -21.654 0.296 1.00 0.00 H new ATOM 0 HG2 ARG A 27 2.768 -23.308 -1.525 1.00 0.00 H new ATOM 0 HG3 ARG A 27 3.547 -22.158 -2.594 1.00 0.00 H new ATOM 0 HD2 ARG A 27 5.543 -22.095 -1.126 1.00 0.00 H new ATOM 0 HD3 ARG A 27 4.761 -23.162 0.024 1.00 0.00 H new ATOM 0 HE ARG A 27 4.718 -24.890 -1.867 1.00 0.00 H new ATOM 0 HH11 ARG A 27 7.117 -22.278 -1.948 1.00 0.00 H new ATOM 0 HH12 ARG A 27 8.312 -23.266 -2.796 1.00 0.00 H new ATOM 0 HH21 ARG A 27 6.264 -26.132 -2.893 1.00 0.00 H new ATOM 0 HH22 ARG A 27 7.829 -25.438 -3.328 1.00 0.00 H new ATOM 127 N ILE A 28 0.304 -22.682 -1.979 1.00 0.00 N ATOM 128 CA ILE A 28 -0.818 -23.646 -2.028 1.00 0.00 C ATOM 129 C ILE A 28 -1.143 -24.240 -0.644 1.00 0.00 C ATOM 130 O ILE A 28 -2.301 -24.248 -0.241 1.00 0.00 O ATOM 131 CB ILE A 28 -0.580 -24.796 -3.090 1.00 0.00 C ATOM 132 CG1 ILE A 28 -1.822 -25.754 -3.173 1.00 0.00 C ATOM 133 CG2 ILE A 28 0.727 -25.580 -2.830 1.00 0.00 C ATOM 134 CD1 ILE A 28 -1.758 -26.798 -4.281 1.00 0.00 C ATOM 0 H ILE A 28 1.035 -22.872 -2.665 1.00 0.00 H new ATOM 0 HA ILE A 28 -1.686 -23.073 -2.353 1.00 0.00 H new ATOM 0 HB ILE A 28 -0.462 -24.314 -4.060 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -1.931 -26.267 -2.217 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -2.718 -25.150 -3.315 1.00 0.00 H new ATOM 0 HG21 ILE A 28 0.842 -26.356 -3.586 1.00 0.00 H new ATOM 0 HG22 ILE A 28 1.576 -24.898 -2.878 1.00 0.00 H new ATOM 0 HG23 ILE A 28 0.686 -26.039 -1.842 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.660 -27.410 -4.257 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -1.684 -26.299 -5.247 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -0.884 -27.433 -4.133 1.00 0.00 H new ATOM 146 N ALA A 29 -0.093 -24.641 0.100 1.00 0.00 N ATOM 147 CA ALA A 29 -0.238 -25.275 1.430 1.00 0.00 C ATOM 148 C ALA A 29 -0.974 -24.351 2.424 1.00 0.00 C ATOM 149 O ALA A 29 -1.889 -24.790 3.130 1.00 0.00 O ATOM 150 CB ALA A 29 1.137 -25.681 1.985 1.00 0.00 C ATOM 0 H ALA A 29 0.876 -24.536 -0.200 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.844 -26.172 1.305 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.012 -26.145 2.963 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.609 -26.390 1.305 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.766 -24.796 2.081 1.00 0.00 H new ATOM 156 N ASP A 30 -0.589 -23.057 2.426 1.00 0.00 N ATOM 157 CA ASP A 30 -1.199 -22.041 3.313 1.00 0.00 C ATOM 158 C ASP A 30 -2.664 -21.778 2.914 1.00 0.00 C ATOM 159 O ASP A 30 -3.518 -21.563 3.775 1.00 0.00 O ATOM 160 CB ASP A 30 -0.380 -20.722 3.293 1.00 0.00 C ATOM 161 CG ASP A 30 -0.901 -19.668 4.298 1.00 0.00 C ATOM 162 OD1 ASP A 30 -0.979 -19.977 5.509 1.00 0.00 O ATOM 163 OD2 ASP A 30 -1.211 -18.524 3.895 1.00 0.00 O ATOM 0 H ASP A 30 0.145 -22.689 1.821 1.00 0.00 H new ATOM 0 HA ASP A 30 -1.186 -22.431 4.331 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.663 -20.946 3.518 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.406 -20.301 2.288 1.00 0.00 H new ATOM 168 N LEU A 31 -2.938 -21.836 1.598 1.00 0.00 N ATOM 169 CA LEU A 31 -4.303 -21.687 1.052 1.00 0.00 C ATOM 170 C LEU A 31 -5.213 -22.837 1.562 1.00 0.00 C ATOM 171 O LEU A 31 -6.357 -22.594 1.968 1.00 0.00 O ATOM 172 CB LEU A 31 -4.274 -21.687 -0.507 1.00 0.00 C ATOM 173 CG LEU A 31 -5.629 -21.333 -1.216 1.00 0.00 C ATOM 174 CD1 LEU A 31 -5.993 -19.848 -1.022 1.00 0.00 C ATOM 175 CD2 LEU A 31 -5.621 -21.721 -2.712 1.00 0.00 C ATOM 0 H LEU A 31 -2.225 -21.987 0.885 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.706 -20.734 1.394 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.516 -20.976 -0.837 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.955 -22.673 -0.846 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.405 -21.930 -0.737 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.936 -19.636 -1.525 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.093 -19.634 0.042 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.207 -19.222 -1.446 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.579 -21.458 -3.161 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.821 -21.185 -3.223 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.458 -22.794 -2.809 1.00 0.00 H new ATOM 187 N GLU A 32 -4.660 -24.079 1.567 1.00 0.00 N ATOM 188 CA GLU A 32 -5.406 -25.310 1.925 1.00 0.00 C ATOM 189 C GLU A 32 -5.796 -25.323 3.416 1.00 0.00 C ATOM 190 O GLU A 32 -6.980 -25.442 3.759 1.00 0.00 O ATOM 191 CB GLU A 32 -4.591 -26.603 1.586 1.00 0.00 C ATOM 192 CG GLU A 32 -4.099 -26.728 0.123 1.00 0.00 C ATOM 193 CD GLU A 32 -5.184 -26.485 -0.943 1.00 0.00 C ATOM 194 OE1 GLU A 32 -5.944 -27.427 -1.253 1.00 0.00 O ATOM 195 OE2 GLU A 32 -5.280 -25.351 -1.481 1.00 0.00 O ATOM 0 H GLU A 32 -3.685 -24.252 1.323 1.00 0.00 H new ATOM 0 HA GLU A 32 -6.315 -25.305 1.324 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -3.724 -26.646 2.245 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.210 -27.470 1.816 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.288 -26.018 -0.035 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -3.683 -27.725 -0.022 1.00 0.00 H new ATOM 202 N ASN A 33 -4.786 -25.172 4.294 1.00 0.00 N ATOM 203 CA ASN A 33 -4.968 -25.311 5.757 1.00 0.00 C ATOM 204 C ASN A 33 -5.764 -24.134 6.351 1.00 0.00 C ATOM 205 O ASN A 33 -6.541 -24.332 7.289 1.00 0.00 O ATOM 206 CB ASN A 33 -3.612 -25.467 6.499 1.00 0.00 C ATOM 207 CG ASN A 33 -2.833 -26.724 6.091 1.00 0.00 C ATOM 208 OD1 ASN A 33 -3.118 -27.824 6.561 1.00 0.00 O ATOM 209 ND2 ASN A 33 -1.811 -26.565 5.265 1.00 0.00 N ATOM 0 H ASN A 33 -3.829 -24.952 4.016 1.00 0.00 H new ATOM 0 HA ASN A 33 -5.545 -26.224 5.907 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -2.997 -24.589 6.304 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -3.796 -25.495 7.573 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -1.237 -27.367 5.003 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -1.597 -25.641 4.890 1.00 0.00 H new ATOM 216 N HIS A 34 -5.563 -22.911 5.802 1.00 0.00 N ATOM 217 CA HIS A 34 -6.275 -21.697 6.274 1.00 0.00 C ATOM 218 C HIS A 34 -7.762 -21.768 5.885 1.00 0.00 C ATOM 219 O HIS A 34 -8.631 -21.346 6.663 1.00 0.00 O ATOM 220 CB HIS A 34 -5.622 -20.397 5.726 1.00 0.00 C ATOM 221 CG HIS A 34 -6.059 -19.130 6.422 1.00 0.00 C ATOM 222 ND1 HIS A 34 -5.196 -18.346 7.155 1.00 0.00 N ATOM 223 CD2 HIS A 34 -7.260 -18.501 6.476 1.00 0.00 C ATOM 224 CE1 HIS A 34 -5.840 -17.296 7.623 1.00 0.00 C ATOM 225 NE2 HIS A 34 -7.091 -17.370 7.228 1.00 0.00 N ATOM 0 H HIS A 34 -4.915 -22.739 5.033 1.00 0.00 H new ATOM 0 HA HIS A 34 -6.196 -21.664 7.361 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -4.539 -20.487 5.811 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -5.853 -20.310 4.664 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -8.178 -18.831 6.012 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -5.413 -16.510 8.228 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -7.821 -16.692 7.447 1.00 0.00 H new ATOM 234 N ASN A 35 -8.037 -22.329 4.688 1.00 0.00 N ATOM 235 CA ASN A 35 -9.418 -22.557 4.201 1.00 0.00 C ATOM 236 C ASN A 35 -10.204 -23.420 5.215 1.00 0.00 C ATOM 237 O ASN A 35 -11.374 -23.155 5.507 1.00 0.00 O ATOM 238 CB ASN A 35 -9.399 -23.253 2.810 1.00 0.00 C ATOM 239 CG ASN A 35 -10.784 -23.403 2.168 1.00 0.00 C ATOM 240 OD1 ASN A 35 -11.641 -22.546 2.320 1.00 0.00 O ATOM 241 ND2 ASN A 35 -11.017 -24.502 1.464 1.00 0.00 N ATOM 0 H ASN A 35 -7.315 -22.635 4.035 1.00 0.00 H new ATOM 0 HA ASN A 35 -9.912 -21.591 4.099 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -8.758 -22.682 2.138 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -8.950 -24.241 2.915 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -11.930 -24.648 1.033 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -10.283 -25.202 1.353 1.00 0.00 H new ATOM 248 N ASN A 36 -9.513 -24.439 5.766 1.00 0.00 N ATOM 249 CA ASN A 36 -10.075 -25.393 6.741 1.00 0.00 C ATOM 250 C ASN A 36 -9.956 -24.873 8.192 1.00 0.00 C ATOM 251 O ASN A 36 -10.608 -25.405 9.095 1.00 0.00 O ATOM 252 CB ASN A 36 -9.347 -26.758 6.595 1.00 0.00 C ATOM 253 CG ASN A 36 -9.483 -27.374 5.194 1.00 0.00 C ATOM 254 OD1 ASN A 36 -10.475 -27.155 4.495 1.00 0.00 O ATOM 255 ND2 ASN A 36 -8.496 -28.156 4.779 1.00 0.00 N ATOM 0 H ASN A 36 -8.535 -24.624 5.542 1.00 0.00 H new ATOM 0 HA ASN A 36 -11.138 -25.513 6.530 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -8.290 -26.624 6.824 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -9.747 -27.455 7.331 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -8.545 -28.595 3.859 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -7.688 -28.319 5.379 1.00 0.00 H new ATOM 262 N ASP A 37 -9.106 -23.846 8.408 1.00 0.00 N ATOM 263 CA ASP A 37 -8.914 -23.200 9.735 1.00 0.00 C ATOM 264 C ASP A 37 -10.191 -22.444 10.157 1.00 0.00 C ATOM 265 O ASP A 37 -10.524 -22.362 11.347 1.00 0.00 O ATOM 266 CB ASP A 37 -7.693 -22.235 9.685 1.00 0.00 C ATOM 267 CG ASP A 37 -7.340 -21.593 11.044 1.00 0.00 C ATOM 268 OD1 ASP A 37 -7.884 -20.519 11.378 1.00 0.00 O ATOM 269 OD2 ASP A 37 -6.511 -22.157 11.788 1.00 0.00 O ATOM 0 H ASP A 37 -8.531 -23.438 7.671 1.00 0.00 H new ATOM 0 HA ASP A 37 -8.717 -23.972 10.478 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.825 -22.783 9.318 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.898 -21.444 8.964 1.00 0.00 H new ATOM 274 N GLY A 38 -10.908 -21.916 9.154 1.00 0.00 N ATOM 275 CA GLY A 38 -12.145 -21.164 9.363 1.00 0.00 C ATOM 276 C GLY A 38 -12.255 -19.998 8.400 1.00 0.00 C ATOM 277 O GLY A 38 -13.360 -19.591 8.034 1.00 0.00 O ATOM 0 H GLY A 38 -10.642 -22.001 8.173 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -13.001 -21.826 9.234 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -12.179 -20.795 10.388 1.00 0.00 H new ATOM 281 N GLY A 39 -11.094 -19.470 7.979 1.00 0.00 N ATOM 282 CA GLY A 39 -11.037 -18.431 6.959 1.00 0.00 C ATOM 283 C GLY A 39 -11.103 -19.049 5.579 1.00 0.00 C ATOM 284 O GLY A 39 -10.077 -19.494 5.059 1.00 0.00 O ATOM 0 H GLY A 39 -10.182 -19.753 8.337 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -11.864 -17.734 7.093 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -10.116 -17.857 7.065 1.00 0.00 H new ATOM 288 N PHE A 40 -12.307 -19.060 4.976 1.00 0.00 N ATOM 289 CA PHE A 40 -12.545 -19.758 3.705 1.00 0.00 C ATOM 290 C PHE A 40 -11.877 -18.938 2.597 1.00 0.00 C ATOM 291 O PHE A 40 -12.226 -17.782 2.396 1.00 0.00 O ATOM 292 CB PHE A 40 -14.073 -19.921 3.434 1.00 0.00 C ATOM 293 CG PHE A 40 -14.429 -20.999 2.396 1.00 0.00 C ATOM 294 CD1 PHE A 40 -14.256 -20.778 1.024 1.00 0.00 C ATOM 295 CD2 PHE A 40 -14.936 -22.240 2.796 1.00 0.00 C ATOM 296 CE1 PHE A 40 -14.577 -21.755 0.095 1.00 0.00 C ATOM 297 CE2 PHE A 40 -15.256 -23.215 1.865 1.00 0.00 C ATOM 298 CZ PHE A 40 -15.077 -22.972 0.517 1.00 0.00 C ATOM 0 H PHE A 40 -13.130 -18.591 5.353 1.00 0.00 H new ATOM 0 HA PHE A 40 -12.122 -20.762 3.741 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -14.571 -20.161 4.373 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -14.473 -18.965 3.097 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -13.866 -19.830 0.684 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -15.080 -22.441 3.847 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -14.436 -21.565 -0.959 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -15.646 -24.167 2.194 1.00 0.00 H new ATOM 0 HZ PHE A 40 -15.328 -23.733 -0.207 1.00 0.00 H new ATOM 308 N TRP A 41 -10.900 -19.544 1.915 1.00 0.00 N ATOM 309 CA TRP A 41 -10.002 -18.851 0.978 1.00 0.00 C ATOM 310 C TRP A 41 -10.121 -19.420 -0.442 1.00 0.00 C ATOM 311 O TRP A 41 -10.494 -20.584 -0.635 1.00 0.00 O ATOM 312 CB TRP A 41 -8.529 -18.944 1.492 1.00 0.00 C ATOM 313 CG TRP A 41 -8.103 -17.854 2.454 1.00 0.00 C ATOM 314 CD1 TRP A 41 -8.889 -16.914 3.064 1.00 0.00 C ATOM 315 CD2 TRP A 41 -6.765 -17.587 2.884 1.00 0.00 C ATOM 316 NE1 TRP A 41 -8.118 -16.076 3.827 1.00 0.00 N ATOM 317 CE2 TRP A 41 -6.812 -16.468 3.728 1.00 0.00 C ATOM 318 CE3 TRP A 41 -5.528 -18.187 2.625 1.00 0.00 C ATOM 319 CZ2 TRP A 41 -5.673 -15.934 4.317 1.00 0.00 C ATOM 320 CZ3 TRP A 41 -4.399 -17.655 3.210 1.00 0.00 C ATOM 321 CH2 TRP A 41 -4.477 -16.537 4.044 1.00 0.00 C ATOM 0 H TRP A 41 -10.706 -20.542 1.997 1.00 0.00 H new ATOM 0 HA TRP A 41 -10.298 -17.803 0.931 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -8.394 -19.909 1.981 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -7.861 -18.926 0.631 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -9.962 -16.843 2.959 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -8.462 -15.289 4.378 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -5.459 -19.050 1.979 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -5.730 -15.074 4.967 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -3.438 -18.110 3.020 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -3.573 -16.141 4.482 1.00 0.00 H new ATOM 332 N THR A 42 -9.785 -18.564 -1.417 1.00 0.00 N ATOM 333 CA THR A 42 -9.750 -18.907 -2.843 1.00 0.00 C ATOM 334 C THR A 42 -8.701 -18.044 -3.563 1.00 0.00 C ATOM 335 O THR A 42 -8.411 -16.922 -3.130 1.00 0.00 O ATOM 336 CB THR A 42 -11.150 -18.696 -3.519 1.00 0.00 C ATOM 337 OG1 THR A 42 -11.113 -19.134 -4.892 1.00 0.00 O ATOM 338 CG2 THR A 42 -11.624 -17.225 -3.467 1.00 0.00 C ATOM 0 H THR A 42 -9.525 -17.595 -1.231 1.00 0.00 H new ATOM 0 HA THR A 42 -9.485 -19.961 -2.926 1.00 0.00 H new ATOM 0 HB THR A 42 -11.863 -19.294 -2.951 1.00 0.00 H new ATOM 0 HG1 THR A 42 -11.948 -19.599 -5.110 1.00 0.00 H new ATOM 0 HG21 THR A 42 -12.598 -17.139 -3.949 1.00 0.00 H new ATOM 0 HG22 THR A 42 -11.704 -16.905 -2.428 1.00 0.00 H new ATOM 0 HG23 THR A 42 -10.905 -16.592 -3.987 1.00 0.00 H new ATOM 346 N VAL A 43 -8.135 -18.578 -4.655 1.00 0.00 N ATOM 347 CA VAL A 43 -7.287 -17.805 -5.574 1.00 0.00 C ATOM 348 C VAL A 43 -8.131 -17.347 -6.774 1.00 0.00 C ATOM 349 O VAL A 43 -8.701 -18.171 -7.490 1.00 0.00 O ATOM 350 CB VAL A 43 -6.002 -18.595 -6.046 1.00 0.00 C ATOM 351 CG1 VAL A 43 -6.320 -20.060 -6.423 1.00 0.00 C ATOM 352 CG2 VAL A 43 -5.273 -17.843 -7.204 1.00 0.00 C ATOM 0 H VAL A 43 -8.252 -19.555 -4.925 1.00 0.00 H new ATOM 0 HA VAL A 43 -6.913 -16.936 -5.032 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.320 -18.637 -5.197 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -5.405 -20.561 -6.741 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.735 -20.577 -5.557 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.045 -20.077 -7.237 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.393 -18.409 -7.508 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.949 -17.739 -8.053 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.967 -16.855 -6.860 1.00 0.00 H new ATOM 362 N ILE A 44 -8.251 -16.016 -6.930 1.00 0.00 N ATOM 363 CA ILE A 44 -8.942 -15.365 -8.065 1.00 0.00 C ATOM 364 C ILE A 44 -8.092 -14.156 -8.503 1.00 0.00 C ATOM 365 O ILE A 44 -7.670 -13.382 -7.643 1.00 0.00 O ATOM 366 CB ILE A 44 -10.389 -14.864 -7.673 1.00 0.00 C ATOM 367 CG1 ILE A 44 -11.296 -16.031 -7.160 1.00 0.00 C ATOM 368 CG2 ILE A 44 -11.064 -14.123 -8.854 1.00 0.00 C ATOM 369 CD1 ILE A 44 -12.674 -15.602 -6.688 1.00 0.00 C ATOM 0 H ILE A 44 -7.865 -15.349 -6.262 1.00 0.00 H new ATOM 0 HA ILE A 44 -9.055 -16.092 -8.869 1.00 0.00 H new ATOM 0 HB ILE A 44 -10.268 -14.159 -6.850 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -11.412 -16.762 -7.960 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -10.786 -16.536 -6.339 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -12.058 -13.790 -8.554 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -10.461 -13.259 -9.134 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -11.149 -14.798 -9.706 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -13.231 -16.476 -6.351 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -12.573 -14.896 -5.864 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -13.208 -15.126 -7.510 1.00 0.00 H new ATOM 381 N ASP A 45 -7.836 -14.019 -9.825 1.00 0.00 N ATOM 382 CA ASP A 45 -7.035 -12.895 -10.403 1.00 0.00 C ATOM 383 C ASP A 45 -5.578 -12.908 -9.840 1.00 0.00 C ATOM 384 O ASP A 45 -4.891 -11.879 -9.755 1.00 0.00 O ATOM 385 CB ASP A 45 -7.795 -11.544 -10.138 1.00 0.00 C ATOM 386 CG ASP A 45 -7.110 -10.281 -10.681 1.00 0.00 C ATOM 387 OD1 ASP A 45 -7.010 -10.130 -11.918 1.00 0.00 O ATOM 388 OD2 ASP A 45 -6.657 -9.436 -9.871 1.00 0.00 O ATOM 0 H ASP A 45 -8.174 -14.678 -10.526 1.00 0.00 H new ATOM 0 HA ASP A 45 -6.934 -13.012 -11.482 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -8.789 -11.615 -10.579 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -7.930 -11.429 -9.063 1.00 0.00 H new ATOM 393 N GLY A 46 -5.109 -14.128 -9.499 1.00 0.00 N ATOM 394 CA GLY A 46 -3.795 -14.335 -8.881 1.00 0.00 C ATOM 395 C GLY A 46 -3.709 -13.868 -7.426 1.00 0.00 C ATOM 396 O GLY A 46 -2.648 -13.955 -6.812 1.00 0.00 O ATOM 0 H GLY A 46 -5.634 -14.990 -9.647 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.547 -15.395 -8.926 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.043 -13.806 -9.466 1.00 0.00 H new ATOM 400 N LYS A 47 -4.828 -13.365 -6.883 1.00 0.00 N ATOM 401 CA LYS A 47 -4.929 -12.885 -5.495 1.00 0.00 C ATOM 402 C LYS A 47 -5.518 -14.000 -4.618 1.00 0.00 C ATOM 403 O LYS A 47 -5.966 -15.021 -5.134 1.00 0.00 O ATOM 404 CB LYS A 47 -5.863 -11.644 -5.426 1.00 0.00 C ATOM 405 CG LYS A 47 -5.601 -10.545 -6.474 1.00 0.00 C ATOM 406 CD LYS A 47 -4.278 -9.792 -6.251 1.00 0.00 C ATOM 407 CE LYS A 47 -4.014 -8.752 -7.357 1.00 0.00 C ATOM 408 NZ LYS A 47 -3.919 -9.386 -8.701 1.00 0.00 N ATOM 0 H LYS A 47 -5.701 -13.279 -7.403 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.936 -12.610 -5.140 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -6.894 -11.983 -5.533 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.774 -11.201 -4.434 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.592 -10.995 -7.467 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -6.425 -9.831 -6.455 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.303 -9.293 -5.282 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.455 -10.506 -6.220 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.815 -8.013 -7.360 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.089 -8.218 -7.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.114 -8.981 -9.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.781 -10.411 -8.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.796 -9.209 -9.231 1.00 0.00 H new ATOM 422 N VAL A 48 -5.533 -13.773 -3.302 1.00 0.00 N ATOM 423 CA VAL A 48 -6.205 -14.642 -2.323 1.00 0.00 C ATOM 424 C VAL A 48 -7.257 -13.808 -1.591 1.00 0.00 C ATOM 425 O VAL A 48 -6.915 -12.816 -0.946 1.00 0.00 O ATOM 426 CB VAL A 48 -5.208 -15.254 -1.276 1.00 0.00 C ATOM 427 CG1 VAL A 48 -5.950 -16.114 -0.224 1.00 0.00 C ATOM 428 CG2 VAL A 48 -4.117 -16.076 -1.982 1.00 0.00 C ATOM 0 H VAL A 48 -5.072 -12.969 -2.877 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.656 -15.476 -2.860 1.00 0.00 H new ATOM 0 HB VAL A 48 -4.730 -14.428 -0.749 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.230 -16.522 0.485 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.672 -15.495 0.308 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.471 -16.931 -0.724 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.436 -16.491 -1.239 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.579 -16.887 -2.544 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.561 -15.433 -2.664 1.00 0.00 H new ATOM 438 N TYR A 49 -8.530 -14.210 -1.703 1.00 0.00 N ATOM 439 CA TYR A 49 -9.657 -13.514 -1.056 1.00 0.00 C ATOM 440 C TYR A 49 -10.265 -14.392 0.044 1.00 0.00 C ATOM 441 O TYR A 49 -10.265 -15.625 -0.071 1.00 0.00 O ATOM 442 CB TYR A 49 -10.746 -13.168 -2.094 1.00 0.00 C ATOM 443 CG TYR A 49 -10.282 -12.246 -3.230 1.00 0.00 C ATOM 444 CD1 TYR A 49 -10.288 -10.856 -3.082 1.00 0.00 C ATOM 445 CD2 TYR A 49 -9.838 -12.765 -4.446 1.00 0.00 C ATOM 446 CE1 TYR A 49 -9.867 -10.026 -4.103 1.00 0.00 C ATOM 447 CE2 TYR A 49 -9.423 -11.930 -5.466 1.00 0.00 C ATOM 448 CZ TYR A 49 -9.437 -10.566 -5.288 1.00 0.00 C ATOM 449 OH TYR A 49 -9.002 -9.736 -6.299 1.00 0.00 O ATOM 0 H TYR A 49 -8.811 -15.027 -2.245 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.278 -12.593 -0.614 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -11.122 -14.095 -2.528 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -11.582 -12.694 -1.579 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -10.628 -10.423 -2.153 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -9.818 -13.835 -4.593 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -9.876 -8.954 -3.968 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -9.088 -12.349 -6.403 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.731 -10.275 -7.071 1.00 0.00 H new ATOM 459 N ASP A 50 -10.800 -13.742 1.096 1.00 0.00 N ATOM 460 CA ASP A 50 -11.517 -14.426 2.180 1.00 0.00 C ATOM 461 C ASP A 50 -13.020 -14.467 1.863 1.00 0.00 C ATOM 462 O ASP A 50 -13.736 -13.473 2.036 1.00 0.00 O ATOM 463 CB ASP A 50 -11.253 -13.749 3.549 1.00 0.00 C ATOM 464 CG ASP A 50 -11.895 -14.503 4.737 1.00 0.00 C ATOM 465 OD1 ASP A 50 -11.646 -15.720 4.896 1.00 0.00 O ATOM 466 OD2 ASP A 50 -12.641 -13.893 5.525 1.00 0.00 O ATOM 0 H ASP A 50 -10.745 -12.730 1.214 1.00 0.00 H new ATOM 0 HA ASP A 50 -11.144 -15.448 2.251 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -10.177 -13.679 3.711 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.639 -12.730 3.523 1.00 0.00 H new ATOM 471 N ILE A 51 -13.452 -15.622 1.342 1.00 0.00 N ATOM 472 CA ILE A 51 -14.860 -15.940 1.046 1.00 0.00 C ATOM 473 C ILE A 51 -15.741 -15.928 2.320 1.00 0.00 C ATOM 474 O ILE A 51 -16.942 -15.651 2.230 1.00 0.00 O ATOM 475 CB ILE A 51 -14.956 -17.339 0.308 1.00 0.00 C ATOM 476 CG1 ILE A 51 -14.319 -17.266 -1.114 1.00 0.00 C ATOM 477 CG2 ILE A 51 -16.404 -17.906 0.239 1.00 0.00 C ATOM 478 CD1 ILE A 51 -15.031 -16.337 -2.081 1.00 0.00 C ATOM 0 H ILE A 51 -12.816 -16.384 1.107 1.00 0.00 H new ATOM 0 HA ILE A 51 -15.245 -15.161 0.388 1.00 0.00 H new ATOM 0 HB ILE A 51 -14.384 -18.040 0.916 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -13.283 -16.942 -1.017 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -14.301 -18.269 -1.541 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -16.395 -18.865 -0.279 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -16.790 -18.043 1.249 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -17.043 -17.208 -0.302 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -14.518 -16.350 -3.043 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -16.060 -16.670 -2.214 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -15.026 -15.323 -1.682 1.00 0.00 H new ATOM 490 N LYS A 52 -15.145 -16.214 3.500 1.00 0.00 N ATOM 491 CA LYS A 52 -15.884 -16.185 4.782 1.00 0.00 C ATOM 492 C LYS A 52 -16.475 -14.771 5.032 1.00 0.00 C ATOM 493 O LYS A 52 -17.682 -14.620 5.289 1.00 0.00 O ATOM 494 CB LYS A 52 -14.967 -16.587 5.966 1.00 0.00 C ATOM 495 CG LYS A 52 -15.683 -16.607 7.340 1.00 0.00 C ATOM 496 CD LYS A 52 -14.722 -16.702 8.553 1.00 0.00 C ATOM 497 CE LYS A 52 -13.800 -15.469 8.714 1.00 0.00 C ATOM 498 NZ LYS A 52 -12.589 -15.513 7.847 1.00 0.00 N ATOM 0 H LYS A 52 -14.161 -16.466 3.591 1.00 0.00 H new ATOM 0 HA LYS A 52 -16.697 -16.908 4.715 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -14.551 -17.575 5.770 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -14.129 -15.892 6.015 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -16.285 -15.704 7.437 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -16.370 -17.453 7.367 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -15.310 -16.826 9.462 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -14.105 -17.595 8.448 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -14.369 -14.568 8.484 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -13.488 -15.392 9.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -11.749 -15.695 8.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -12.692 -16.273 7.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -12.479 -14.602 7.358 1.00 0.00 H new ATOM 512 N ASP A 53 -15.601 -13.747 4.929 1.00 0.00 N ATOM 513 CA ASP A 53 -15.985 -12.328 5.098 1.00 0.00 C ATOM 514 C ASP A 53 -16.901 -11.872 3.946 1.00 0.00 C ATOM 515 O ASP A 53 -17.858 -11.129 4.172 1.00 0.00 O ATOM 516 CB ASP A 53 -14.733 -11.412 5.179 1.00 0.00 C ATOM 517 CG ASP A 53 -15.091 -9.918 5.316 1.00 0.00 C ATOM 518 OD1 ASP A 53 -15.526 -9.496 6.409 1.00 0.00 O ATOM 519 OD2 ASP A 53 -14.938 -9.160 4.339 1.00 0.00 O ATOM 0 H ASP A 53 -14.610 -13.880 4.727 1.00 0.00 H new ATOM 0 HA ASP A 53 -16.531 -12.243 6.037 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -14.123 -11.714 6.030 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -14.126 -11.555 4.285 1.00 0.00 H new ATOM 524 N PHE A 54 -16.581 -12.336 2.719 1.00 0.00 N ATOM 525 CA PHE A 54 -17.396 -12.104 1.501 1.00 0.00 C ATOM 526 C PHE A 54 -18.879 -12.438 1.760 1.00 0.00 C ATOM 527 O PHE A 54 -19.778 -11.638 1.483 1.00 0.00 O ATOM 528 CB PHE A 54 -16.816 -12.957 0.334 1.00 0.00 C ATOM 529 CG PHE A 54 -17.504 -12.801 -1.020 1.00 0.00 C ATOM 530 CD1 PHE A 54 -18.624 -13.565 -1.355 1.00 0.00 C ATOM 531 CD2 PHE A 54 -17.031 -11.890 -1.959 1.00 0.00 C ATOM 532 CE1 PHE A 54 -19.247 -13.416 -2.579 1.00 0.00 C ATOM 533 CE2 PHE A 54 -17.653 -11.749 -3.182 1.00 0.00 C ATOM 534 CZ PHE A 54 -18.760 -12.508 -3.492 1.00 0.00 C ATOM 0 H PHE A 54 -15.742 -12.888 2.542 1.00 0.00 H new ATOM 0 HA PHE A 54 -17.350 -11.050 1.227 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -15.763 -12.703 0.215 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -16.860 -14.007 0.622 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -19.009 -14.283 -0.646 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -16.166 -11.286 -1.728 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -20.115 -14.011 -2.819 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -17.270 -11.040 -3.901 1.00 0.00 H new ATOM 0 HZ PHE A 54 -19.245 -12.391 -4.450 1.00 0.00 H new ATOM 544 N GLN A 55 -19.106 -13.608 2.351 1.00 0.00 N ATOM 545 CA GLN A 55 -20.456 -14.108 2.648 1.00 0.00 C ATOM 546 C GLN A 55 -21.124 -13.341 3.794 1.00 0.00 C ATOM 547 O GLN A 55 -22.349 -13.193 3.812 1.00 0.00 O ATOM 548 CB GLN A 55 -20.396 -15.612 2.939 1.00 0.00 C ATOM 549 CG GLN A 55 -20.055 -16.456 1.707 1.00 0.00 C ATOM 550 CD GLN A 55 -21.116 -16.336 0.606 1.00 0.00 C ATOM 551 OE1 GLN A 55 -21.043 -15.471 -0.272 1.00 0.00 O ATOM 552 NE2 GLN A 55 -22.109 -17.212 0.642 1.00 0.00 N ATOM 0 H GLN A 55 -18.361 -14.242 2.640 1.00 0.00 H new ATOM 0 HA GLN A 55 -21.079 -13.940 1.769 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -19.651 -15.795 3.714 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -21.357 -15.936 3.338 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -19.088 -16.144 1.312 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -19.957 -17.501 2.001 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -22.142 -17.915 1.380 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -22.840 -17.183 -0.068 1.00 0.00 H new ATOM 561 N THR A 56 -20.315 -12.856 4.740 1.00 0.00 N ATOM 562 CA THR A 56 -20.796 -11.964 5.815 1.00 0.00 C ATOM 563 C THR A 56 -21.344 -10.641 5.207 1.00 0.00 C ATOM 564 O THR A 56 -22.354 -10.095 5.671 1.00 0.00 O ATOM 565 CB THR A 56 -19.655 -11.653 6.839 1.00 0.00 C ATOM 566 OG1 THR A 56 -19.003 -12.874 7.219 1.00 0.00 O ATOM 567 CG2 THR A 56 -20.176 -10.941 8.106 1.00 0.00 C ATOM 0 H THR A 56 -19.318 -13.064 4.789 1.00 0.00 H new ATOM 0 HA THR A 56 -21.600 -12.474 6.346 1.00 0.00 H new ATOM 0 HB THR A 56 -18.954 -10.980 6.346 1.00 0.00 H new ATOM 0 HG1 THR A 56 -18.494 -13.224 6.458 1.00 0.00 H new ATOM 0 HG21 THR A 56 -19.344 -10.748 8.783 1.00 0.00 H new ATOM 0 HG22 THR A 56 -20.643 -9.996 7.827 1.00 0.00 H new ATOM 0 HG23 THR A 56 -20.910 -11.575 8.604 1.00 0.00 H new ATOM 575 N GLN A 57 -20.667 -10.151 4.147 1.00 0.00 N ATOM 576 CA GLN A 57 -21.057 -8.925 3.437 1.00 0.00 C ATOM 577 C GLN A 57 -22.245 -9.175 2.471 1.00 0.00 C ATOM 578 O GLN A 57 -22.992 -8.252 2.162 1.00 0.00 O ATOM 579 CB GLN A 57 -19.840 -8.327 2.683 1.00 0.00 C ATOM 580 CG GLN A 57 -18.567 -8.116 3.534 1.00 0.00 C ATOM 581 CD GLN A 57 -18.762 -7.289 4.805 1.00 0.00 C ATOM 582 OE1 GLN A 57 -19.613 -6.400 4.869 1.00 0.00 O ATOM 583 NE2 GLN A 57 -17.953 -7.572 5.821 1.00 0.00 N ATOM 0 H GLN A 57 -19.835 -10.598 3.763 1.00 0.00 H new ATOM 0 HA GLN A 57 -21.394 -8.201 4.179 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -19.593 -8.984 1.849 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -20.134 -7.368 2.257 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -18.170 -9.092 3.812 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -17.813 -7.630 2.916 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -17.261 -8.316 5.730 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -18.024 -7.046 6.692 1.00 0.00 H new ATOM 592 N SER A 58 -22.415 -10.425 1.985 1.00 0.00 N ATOM 593 CA SER A 58 -23.581 -10.798 1.141 1.00 0.00 C ATOM 594 C SER A 58 -24.794 -11.197 2.016 1.00 0.00 C ATOM 595 O SER A 58 -25.904 -11.388 1.504 1.00 0.00 O ATOM 596 CB SER A 58 -23.207 -11.934 0.155 1.00 0.00 C ATOM 597 OG SER A 58 -22.848 -13.121 0.830 1.00 0.00 O ATOM 0 H SER A 58 -21.765 -11.192 2.160 1.00 0.00 H new ATOM 0 HA SER A 58 -23.866 -9.925 0.555 1.00 0.00 H new ATOM 0 HB2 SER A 58 -24.051 -12.133 -0.506 1.00 0.00 H new ATOM 0 HB3 SER A 58 -22.378 -11.610 -0.475 1.00 0.00 H new ATOM 0 HG SER A 58 -22.809 -12.950 1.794 1.00 0.00 H new ATOM 603 N LEU A 59 -24.557 -11.324 3.337 1.00 0.00 N ATOM 604 CA LEU A 59 -25.604 -11.588 4.341 1.00 0.00 C ATOM 605 C LEU A 59 -26.401 -10.289 4.597 1.00 0.00 C ATOM 606 O LEU A 59 -27.634 -10.314 4.690 1.00 0.00 O ATOM 607 CB LEU A 59 -24.929 -12.150 5.645 1.00 0.00 C ATOM 608 CG LEU A 59 -25.854 -12.771 6.766 1.00 0.00 C ATOM 609 CD1 LEU A 59 -25.036 -13.700 7.703 1.00 0.00 C ATOM 610 CD2 LEU A 59 -26.592 -11.691 7.602 1.00 0.00 C ATOM 0 H LEU A 59 -23.623 -11.245 3.740 1.00 0.00 H new ATOM 0 HA LEU A 59 -26.310 -12.338 3.985 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -24.213 -12.915 5.344 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -24.358 -11.340 6.098 1.00 0.00 H new ATOM 0 HG LEU A 59 -26.614 -13.356 6.249 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -25.693 -14.116 8.467 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -24.598 -14.510 7.120 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -24.242 -13.127 8.181 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -27.212 -12.176 8.356 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -25.861 -11.048 8.092 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -27.222 -11.090 6.946 1.00 0.00 H new ATOM 622 N THR A 60 -25.671 -9.155 4.701 1.00 0.00 N ATOM 623 CA THR A 60 -26.265 -7.843 5.029 1.00 0.00 C ATOM 624 C THR A 60 -27.015 -7.228 3.825 1.00 0.00 C ATOM 625 O THR A 60 -26.750 -7.575 2.665 1.00 0.00 O ATOM 626 CB THR A 60 -25.186 -6.851 5.602 1.00 0.00 C ATOM 627 OG1 THR A 60 -25.806 -5.625 6.032 1.00 0.00 O ATOM 628 CG2 THR A 60 -24.080 -6.529 4.587 1.00 0.00 C ATOM 0 H THR A 60 -24.661 -9.125 4.561 1.00 0.00 H new ATOM 0 HA THR A 60 -27.005 -8.015 5.811 1.00 0.00 H new ATOM 0 HB THR A 60 -24.723 -7.355 6.451 1.00 0.00 H new ATOM 0 HG1 THR A 60 -25.122 -5.020 6.387 1.00 0.00 H new ATOM 0 HG21 THR A 60 -23.364 -5.841 5.036 1.00 0.00 H new ATOM 0 HG22 THR A 60 -23.570 -7.449 4.301 1.00 0.00 H new ATOM 0 HG23 THR A 60 -24.521 -6.069 3.703 1.00 0.00 H new ATOM 636 N GLU A 61 -27.955 -6.312 4.145 1.00 0.00 N ATOM 637 CA GLU A 61 -28.911 -5.729 3.184 1.00 0.00 C ATOM 638 C GLU A 61 -28.192 -4.833 2.165 1.00 0.00 C ATOM 639 O GLU A 61 -28.026 -5.206 1.004 1.00 0.00 O ATOM 640 CB GLU A 61 -29.990 -4.912 3.951 1.00 0.00 C ATOM 641 CG GLU A 61 -31.041 -4.215 3.055 1.00 0.00 C ATOM 642 CD GLU A 61 -31.870 -3.150 3.799 1.00 0.00 C ATOM 643 OE1 GLU A 61 -31.398 -1.987 3.908 1.00 0.00 O ATOM 644 OE2 GLU A 61 -32.986 -3.460 4.272 1.00 0.00 O ATOM 0 H GLU A 61 -28.071 -5.953 5.093 1.00 0.00 H new ATOM 0 HA GLU A 61 -29.391 -6.540 2.637 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -30.507 -5.579 4.640 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -29.490 -4.155 4.555 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -30.535 -3.746 2.211 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -31.714 -4.968 2.645 1.00 0.00 H new ATOM 651 N ASN A 62 -27.763 -3.643 2.626 1.00 0.00 N ATOM 652 CA ASN A 62 -27.106 -2.647 1.771 1.00 0.00 C ATOM 653 C ASN A 62 -25.599 -2.943 1.707 1.00 0.00 C ATOM 654 O ASN A 62 -24.841 -2.653 2.642 1.00 0.00 O ATOM 655 CB ASN A 62 -27.427 -1.191 2.223 1.00 0.00 C ATOM 656 CG ASN A 62 -27.238 -0.931 3.716 1.00 0.00 C ATOM 657 OD1 ASN A 62 -26.180 -0.482 4.155 1.00 0.00 O ATOM 658 ND2 ASN A 62 -28.264 -1.223 4.508 1.00 0.00 N ATOM 0 H ASN A 62 -27.863 -3.350 3.598 1.00 0.00 H new ATOM 0 HA ASN A 62 -27.504 -2.724 0.759 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -26.792 -0.503 1.665 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -28.458 -0.961 1.955 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -28.189 -1.076 5.515 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -29.127 -1.594 4.109 1.00 0.00 H new ATOM 665 N SER A 63 -25.200 -3.577 0.593 1.00 0.00 N ATOM 666 CA SER A 63 -23.824 -4.007 0.329 1.00 0.00 C ATOM 667 C SER A 63 -23.602 -4.124 -1.188 1.00 0.00 C ATOM 668 O SER A 63 -24.560 -4.200 -1.967 1.00 0.00 O ATOM 669 CB SER A 63 -23.552 -5.373 1.008 1.00 0.00 C ATOM 670 OG SER A 63 -22.227 -5.836 0.773 1.00 0.00 O ATOM 0 H SER A 63 -25.843 -3.809 -0.165 1.00 0.00 H new ATOM 0 HA SER A 63 -23.135 -3.268 0.739 1.00 0.00 H new ATOM 0 HB2 SER A 63 -23.718 -5.283 2.081 1.00 0.00 H new ATOM 0 HB3 SER A 63 -24.264 -6.110 0.636 1.00 0.00 H new ATOM 0 HG SER A 63 -21.872 -6.241 1.592 1.00 0.00 H new ATOM 676 N ILE A 64 -22.322 -4.179 -1.585 1.00 0.00 N ATOM 677 CA ILE A 64 -21.910 -4.428 -2.981 1.00 0.00 C ATOM 678 C ILE A 64 -22.257 -5.870 -3.426 1.00 0.00 C ATOM 679 O ILE A 64 -22.294 -6.163 -4.621 1.00 0.00 O ATOM 680 CB ILE A 64 -20.362 -4.194 -3.174 1.00 0.00 C ATOM 681 CG1 ILE A 64 -19.526 -5.130 -2.234 1.00 0.00 C ATOM 682 CG2 ILE A 64 -19.997 -2.707 -2.953 1.00 0.00 C ATOM 683 CD1 ILE A 64 -18.037 -5.171 -2.521 1.00 0.00 C ATOM 0 H ILE A 64 -21.537 -4.052 -0.946 1.00 0.00 H new ATOM 0 HA ILE A 64 -22.462 -3.719 -3.599 1.00 0.00 H new ATOM 0 HB ILE A 64 -20.110 -4.451 -4.203 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -19.672 -4.807 -1.203 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -19.922 -6.142 -2.310 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -18.924 -2.571 -3.092 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -20.537 -2.089 -3.671 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -20.272 -2.411 -1.941 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -17.549 -5.846 -1.817 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -17.872 -5.526 -3.538 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -17.618 -4.170 -2.414 1.00 0.00 H new ATOM 695 N LEU A 65 -22.493 -6.763 -2.438 1.00 0.00 N ATOM 696 CA LEU A 65 -22.731 -8.204 -2.672 1.00 0.00 C ATOM 697 C LEU A 65 -24.212 -8.584 -2.524 1.00 0.00 C ATOM 698 O LEU A 65 -24.557 -9.770 -2.586 1.00 0.00 O ATOM 699 CB LEU A 65 -21.856 -9.029 -1.701 1.00 0.00 C ATOM 700 CG LEU A 65 -20.328 -8.766 -1.797 1.00 0.00 C ATOM 701 CD1 LEU A 65 -19.553 -9.625 -0.790 1.00 0.00 C ATOM 702 CD2 LEU A 65 -19.817 -8.966 -3.241 1.00 0.00 C ATOM 0 H LEU A 65 -22.524 -6.502 -1.452 1.00 0.00 H new ATOM 0 HA LEU A 65 -22.454 -8.429 -3.702 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -22.180 -8.822 -0.681 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -22.038 -10.088 -1.885 1.00 0.00 H new ATOM 0 HG LEU A 65 -20.149 -7.723 -1.534 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -18.487 -9.419 -0.881 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -19.884 -9.388 0.221 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -19.737 -10.680 -0.994 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -18.744 -8.775 -3.277 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -20.014 -9.990 -3.558 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -20.331 -8.274 -3.908 1.00 0.00 H new ATOM 714 N ALA A 66 -25.081 -7.574 -2.343 1.00 0.00 N ATOM 715 CA ALA A 66 -26.546 -7.776 -2.321 1.00 0.00 C ATOM 716 C ALA A 66 -27.064 -8.072 -3.748 1.00 0.00 C ATOM 717 O ALA A 66 -28.082 -8.747 -3.930 1.00 0.00 O ATOM 718 CB ALA A 66 -27.244 -6.551 -1.710 1.00 0.00 C ATOM 0 H ALA A 66 -24.795 -6.604 -2.209 1.00 0.00 H new ATOM 0 HA ALA A 66 -26.780 -8.637 -1.695 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -28.322 -6.714 -1.700 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -26.890 -6.402 -0.690 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -27.016 -5.667 -2.306 1.00 0.00 H new ATOM 724 N GLN A 67 -26.330 -7.559 -4.758 1.00 0.00 N ATOM 725 CA GLN A 67 -26.582 -7.844 -6.193 1.00 0.00 C ATOM 726 C GLN A 67 -25.995 -9.215 -6.621 1.00 0.00 C ATOM 727 O GLN A 67 -26.176 -9.645 -7.765 1.00 0.00 O ATOM 728 CB GLN A 67 -25.987 -6.703 -7.064 1.00 0.00 C ATOM 729 CG GLN A 67 -24.464 -6.527 -6.917 1.00 0.00 C ATOM 730 CD GLN A 67 -23.900 -5.339 -7.698 1.00 0.00 C ATOM 731 OE1 GLN A 67 -23.864 -4.171 -7.064 1.00 0.00 O flip ATOM 732 NE2 GLN A 67 -23.507 -5.472 -8.856 1.00 0.00 N flip ATOM 0 H GLN A 67 -25.541 -6.932 -4.604 1.00 0.00 H new ATOM 0 HA GLN A 67 -27.660 -7.893 -6.344 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -26.220 -6.901 -8.110 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -26.477 -5.766 -6.800 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -24.223 -6.403 -5.861 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -23.969 -7.438 -7.252 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -23.551 -6.385 -9.308 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -23.137 -4.669 -9.364 1.00 0.00 H new ATOM 741 N PHE A 68 -25.273 -9.881 -5.693 1.00 0.00 N ATOM 742 CA PHE A 68 -24.684 -11.223 -5.904 1.00 0.00 C ATOM 743 C PHE A 68 -25.301 -12.249 -4.920 1.00 0.00 C ATOM 744 O PHE A 68 -24.834 -13.393 -4.828 1.00 0.00 O ATOM 745 CB PHE A 68 -23.137 -11.147 -5.723 1.00 0.00 C ATOM 746 CG PHE A 68 -22.431 -10.229 -6.730 1.00 0.00 C ATOM 747 CD1 PHE A 68 -22.432 -10.535 -8.091 1.00 0.00 C ATOM 748 CD2 PHE A 68 -21.769 -9.068 -6.325 1.00 0.00 C ATOM 749 CE1 PHE A 68 -21.805 -9.708 -9.006 1.00 0.00 C ATOM 750 CE2 PHE A 68 -21.138 -8.244 -7.243 1.00 0.00 C ATOM 751 CZ PHE A 68 -21.159 -8.566 -8.584 1.00 0.00 C ATOM 0 H PHE A 68 -25.081 -9.499 -4.767 1.00 0.00 H new ATOM 0 HA PHE A 68 -24.907 -11.556 -6.918 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -22.917 -10.798 -4.714 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -22.722 -12.151 -5.811 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -22.929 -11.430 -8.435 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -21.748 -8.808 -5.277 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -21.822 -9.959 -10.056 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -20.631 -7.351 -6.909 1.00 0.00 H new ATOM 0 HZ PHE A 68 -20.670 -7.924 -9.302 1.00 0.00 H new ATOM 761 N ALA A 69 -26.364 -11.830 -4.203 1.00 0.00 N ATOM 762 CA ALA A 69 -27.047 -12.660 -3.188 1.00 0.00 C ATOM 763 C ALA A 69 -27.819 -13.820 -3.859 1.00 0.00 C ATOM 764 O ALA A 69 -28.885 -13.603 -4.460 1.00 0.00 O ATOM 765 CB ALA A 69 -27.989 -11.780 -2.347 1.00 0.00 C ATOM 0 H ALA A 69 -26.775 -10.903 -4.312 1.00 0.00 H new ATOM 0 HA ALA A 69 -26.300 -13.101 -2.528 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -28.491 -12.395 -1.600 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -27.411 -11.002 -1.848 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -28.733 -11.319 -2.997 1.00 0.00 H new ATOM 771 N GLY A 70 -27.249 -15.037 -3.783 1.00 0.00 N ATOM 772 CA GLY A 70 -27.808 -16.235 -4.428 1.00 0.00 C ATOM 773 C GLY A 70 -26.762 -16.934 -5.293 1.00 0.00 C ATOM 774 O GLY A 70 -26.710 -18.170 -5.356 1.00 0.00 O ATOM 0 H GLY A 70 -26.385 -15.215 -3.271 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -28.174 -16.924 -3.667 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -28.664 -15.955 -5.042 1.00 0.00 H new ATOM 778 N GLU A 71 -25.922 -16.113 -5.953 1.00 0.00 N ATOM 779 CA GLU A 71 -24.815 -16.581 -6.816 1.00 0.00 C ATOM 780 C GLU A 71 -23.698 -17.213 -5.960 1.00 0.00 C ATOM 781 O GLU A 71 -23.486 -16.791 -4.814 1.00 0.00 O ATOM 782 CB GLU A 71 -24.269 -15.383 -7.655 1.00 0.00 C ATOM 783 CG GLU A 71 -23.096 -15.705 -8.614 1.00 0.00 C ATOM 784 CD GLU A 71 -23.427 -16.777 -9.667 1.00 0.00 C ATOM 785 OE1 GLU A 71 -24.137 -16.462 -10.643 1.00 0.00 O ATOM 786 OE2 GLU A 71 -22.995 -17.942 -9.521 1.00 0.00 O ATOM 0 H GLU A 71 -25.992 -15.097 -5.903 1.00 0.00 H new ATOM 0 HA GLU A 71 -25.185 -17.346 -7.498 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -25.090 -14.972 -8.242 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -23.946 -14.601 -6.968 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -22.795 -14.790 -9.124 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -22.241 -16.039 -8.027 1.00 0.00 H new ATOM 793 N ASP A 72 -23.015 -18.236 -6.522 1.00 0.00 N ATOM 794 CA ASP A 72 -21.883 -18.930 -5.860 1.00 0.00 C ATOM 795 C ASP A 72 -20.818 -17.913 -5.401 1.00 0.00 C ATOM 796 O ASP A 72 -20.430 -17.070 -6.200 1.00 0.00 O ATOM 797 CB ASP A 72 -21.232 -19.957 -6.828 1.00 0.00 C ATOM 798 CG ASP A 72 -19.983 -20.661 -6.235 1.00 0.00 C ATOM 799 OD1 ASP A 72 -20.141 -21.665 -5.501 1.00 0.00 O ATOM 800 OD2 ASP A 72 -18.844 -20.205 -6.490 1.00 0.00 O ATOM 0 H ASP A 72 -23.232 -18.605 -7.448 1.00 0.00 H new ATOM 0 HA ASP A 72 -22.274 -19.456 -4.989 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -21.972 -20.712 -7.096 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -20.949 -19.447 -7.749 1.00 0.00 H new ATOM 805 N PRO A 73 -20.337 -17.989 -4.114 1.00 0.00 N ATOM 806 CA PRO A 73 -19.374 -17.011 -3.525 1.00 0.00 C ATOM 807 C PRO A 73 -18.157 -16.685 -4.426 1.00 0.00 C ATOM 808 O PRO A 73 -17.794 -15.516 -4.615 1.00 0.00 O ATOM 809 CB PRO A 73 -18.902 -17.723 -2.238 1.00 0.00 C ATOM 810 CG PRO A 73 -20.046 -18.597 -1.841 1.00 0.00 C ATOM 811 CD PRO A 73 -20.710 -19.035 -3.124 1.00 0.00 C ATOM 0 HA PRO A 73 -19.851 -16.043 -3.372 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -18.001 -18.309 -2.419 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -18.663 -17.005 -1.454 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -19.698 -19.458 -1.270 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -20.747 -18.055 -1.206 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -20.360 -20.019 -3.436 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -21.792 -19.103 -3.008 1.00 0.00 H new ATOM 819 N VAL A 74 -17.555 -17.744 -4.990 1.00 0.00 N ATOM 820 CA VAL A 74 -16.303 -17.650 -5.758 1.00 0.00 C ATOM 821 C VAL A 74 -16.570 -17.033 -7.155 1.00 0.00 C ATOM 822 O VAL A 74 -15.843 -16.133 -7.598 1.00 0.00 O ATOM 823 CB VAL A 74 -15.617 -19.067 -5.873 1.00 0.00 C ATOM 824 CG1 VAL A 74 -14.207 -18.973 -6.498 1.00 0.00 C ATOM 825 CG2 VAL A 74 -15.560 -19.770 -4.488 1.00 0.00 C ATOM 0 H VAL A 74 -17.924 -18.693 -4.926 1.00 0.00 H new ATOM 0 HA VAL A 74 -15.615 -16.991 -5.229 1.00 0.00 H new ATOM 0 HB VAL A 74 -16.231 -19.671 -6.541 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -13.769 -19.969 -6.560 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -14.280 -18.546 -7.498 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -13.576 -18.337 -5.878 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -15.083 -20.744 -4.594 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -14.985 -19.158 -3.793 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -16.572 -19.901 -4.105 1.00 0.00 H new ATOM 835 N VAL A 75 -17.652 -17.502 -7.807 1.00 0.00 N ATOM 836 CA VAL A 75 -18.086 -17.006 -9.143 1.00 0.00 C ATOM 837 C VAL A 75 -18.554 -15.532 -9.064 1.00 0.00 C ATOM 838 O VAL A 75 -18.280 -14.726 -9.961 1.00 0.00 O ATOM 839 CB VAL A 75 -19.246 -17.899 -9.737 1.00 0.00 C ATOM 840 CG1 VAL A 75 -19.753 -17.365 -11.107 1.00 0.00 C ATOM 841 CG2 VAL A 75 -18.798 -19.376 -9.849 1.00 0.00 C ATOM 0 H VAL A 75 -18.254 -18.234 -7.429 1.00 0.00 H new ATOM 0 HA VAL A 75 -17.223 -17.068 -9.806 1.00 0.00 H new ATOM 0 HB VAL A 75 -20.085 -17.844 -9.043 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -20.550 -18.010 -11.477 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -20.135 -16.351 -10.984 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -18.930 -17.358 -11.822 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -19.612 -19.973 -10.260 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -17.930 -19.444 -10.505 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -18.536 -19.753 -8.860 1.00 0.00 H new ATOM 851 N ALA A 76 -19.230 -15.205 -7.951 1.00 0.00 N ATOM 852 CA ALA A 76 -19.789 -13.865 -7.671 1.00 0.00 C ATOM 853 C ALA A 76 -18.673 -12.836 -7.469 1.00 0.00 C ATOM 854 O ALA A 76 -18.834 -11.658 -7.791 1.00 0.00 O ATOM 855 CB ALA A 76 -20.696 -13.912 -6.428 1.00 0.00 C ATOM 0 H ALA A 76 -19.409 -15.875 -7.203 1.00 0.00 H new ATOM 0 HA ALA A 76 -20.384 -13.561 -8.532 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -21.100 -12.918 -6.235 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -21.515 -14.609 -6.602 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -20.116 -14.242 -5.566 1.00 0.00 H new ATOM 861 N LEU A 77 -17.545 -13.312 -6.924 1.00 0.00 N ATOM 862 CA LEU A 77 -16.348 -12.494 -6.691 1.00 0.00 C ATOM 863 C LEU A 77 -15.656 -12.174 -8.035 1.00 0.00 C ATOM 864 O LEU A 77 -15.140 -11.073 -8.219 1.00 0.00 O ATOM 865 CB LEU A 77 -15.408 -13.227 -5.690 1.00 0.00 C ATOM 866 CG LEU A 77 -14.425 -12.337 -4.848 1.00 0.00 C ATOM 867 CD1 LEU A 77 -13.902 -13.114 -3.625 1.00 0.00 C ATOM 868 CD2 LEU A 77 -13.248 -11.774 -5.682 1.00 0.00 C ATOM 0 H LEU A 77 -17.437 -14.283 -6.630 1.00 0.00 H new ATOM 0 HA LEU A 77 -16.623 -11.539 -6.243 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -16.029 -13.794 -4.997 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -14.814 -13.949 -6.250 1.00 0.00 H new ATOM 0 HG LEU A 77 -15.001 -11.477 -4.507 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -13.223 -12.480 -3.055 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -14.741 -13.407 -2.994 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -13.372 -14.005 -3.960 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -12.606 -11.168 -5.043 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -12.670 -12.599 -6.099 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -13.638 -11.158 -6.492 1.00 0.00 H new ATOM 880 N GLU A 78 -15.672 -13.143 -8.972 1.00 0.00 N ATOM 881 CA GLU A 78 -15.125 -12.946 -10.334 1.00 0.00 C ATOM 882 C GLU A 78 -15.995 -11.953 -11.135 1.00 0.00 C ATOM 883 O GLU A 78 -15.476 -11.107 -11.873 1.00 0.00 O ATOM 884 CB GLU A 78 -15.022 -14.294 -11.083 1.00 0.00 C ATOM 885 CG GLU A 78 -14.121 -15.333 -10.394 1.00 0.00 C ATOM 886 CD GLU A 78 -13.817 -16.538 -11.292 1.00 0.00 C ATOM 887 OE1 GLU A 78 -12.934 -16.412 -12.173 1.00 0.00 O ATOM 888 OE2 GLU A 78 -14.465 -17.596 -11.142 1.00 0.00 O ATOM 0 H GLU A 78 -16.059 -14.073 -8.812 1.00 0.00 H new ATOM 0 HA GLU A 78 -14.123 -12.527 -10.237 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -16.022 -14.713 -11.192 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -14.642 -14.110 -12.088 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -13.185 -14.858 -10.100 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -14.604 -15.678 -9.480 1.00 0.00 H new ATOM 895 N ALA A 79 -17.323 -12.070 -10.951 1.00 0.00 N ATOM 896 CA ALA A 79 -18.317 -11.140 -11.522 1.00 0.00 C ATOM 897 C ALA A 79 -18.159 -9.736 -10.907 1.00 0.00 C ATOM 898 O ALA A 79 -18.392 -8.718 -11.569 1.00 0.00 O ATOM 899 CB ALA A 79 -19.737 -11.694 -11.293 1.00 0.00 C ATOM 0 H ALA A 79 -17.740 -12.818 -10.398 1.00 0.00 H new ATOM 0 HA ALA A 79 -18.150 -11.050 -12.595 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -20.469 -11.005 -11.716 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -19.831 -12.666 -11.778 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -19.917 -11.803 -10.224 1.00 0.00 H new ATOM 905 N ALA A 80 -17.743 -9.712 -9.627 1.00 0.00 N ATOM 906 CA ALA A 80 -17.446 -8.473 -8.893 1.00 0.00 C ATOM 907 C ALA A 80 -16.141 -7.825 -9.390 1.00 0.00 C ATOM 908 O ALA A 80 -16.039 -6.605 -9.431 1.00 0.00 O ATOM 909 CB ALA A 80 -17.374 -8.749 -7.382 1.00 0.00 C ATOM 0 H ALA A 80 -17.604 -10.557 -9.073 1.00 0.00 H new ATOM 0 HA ALA A 80 -18.257 -7.769 -9.081 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -17.153 -7.822 -6.853 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -18.330 -9.144 -7.038 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -16.588 -9.477 -7.182 1.00 0.00 H new ATOM 915 N LEU A 81 -15.147 -8.653 -9.773 1.00 0.00 N ATOM 916 CA LEU A 81 -13.866 -8.158 -10.331 1.00 0.00 C ATOM 917 C LEU A 81 -14.040 -7.672 -11.778 1.00 0.00 C ATOM 918 O LEU A 81 -13.252 -6.847 -12.264 1.00 0.00 O ATOM 919 CB LEU A 81 -12.753 -9.234 -10.237 1.00 0.00 C ATOM 920 CG LEU A 81 -12.250 -9.564 -8.796 1.00 0.00 C ATOM 921 CD1 LEU A 81 -11.141 -10.625 -8.829 1.00 0.00 C ATOM 922 CD2 LEU A 81 -11.784 -8.293 -8.049 1.00 0.00 C ATOM 0 H LEU A 81 -15.205 -9.669 -9.707 1.00 0.00 H new ATOM 0 HA LEU A 81 -13.555 -7.306 -9.726 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -13.122 -10.153 -10.692 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.902 -8.903 -10.832 1.00 0.00 H new ATOM 0 HG LEU A 81 -13.094 -9.975 -8.242 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.809 -10.836 -7.812 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -11.525 -11.539 -9.282 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.300 -10.255 -9.416 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -11.441 -8.563 -7.050 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.967 -7.827 -8.599 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -12.615 -7.592 -7.970 1.00 0.00 H new ATOM 934 N GLN A 82 -15.073 -8.198 -12.457 1.00 0.00 N ATOM 935 CA GLN A 82 -15.466 -7.743 -13.795 1.00 0.00 C ATOM 936 C GLN A 82 -16.186 -6.383 -13.698 1.00 0.00 C ATOM 937 O GLN A 82 -15.973 -5.493 -14.533 1.00 0.00 O ATOM 938 CB GLN A 82 -16.379 -8.797 -14.485 1.00 0.00 C ATOM 939 CG GLN A 82 -16.720 -8.487 -15.956 1.00 0.00 C ATOM 940 CD GLN A 82 -15.475 -8.438 -16.851 1.00 0.00 C ATOM 941 OE1 GLN A 82 -14.858 -7.384 -17.031 1.00 0.00 O ATOM 942 NE2 GLN A 82 -15.084 -9.579 -17.399 1.00 0.00 N ATOM 0 H GLN A 82 -15.657 -8.950 -12.091 1.00 0.00 H new ATOM 0 HA GLN A 82 -14.569 -7.622 -14.402 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -15.889 -9.770 -14.437 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -17.308 -8.879 -13.920 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -17.405 -9.245 -16.334 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -17.241 -7.531 -16.011 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -15.615 -10.434 -17.231 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -14.252 -9.603 -17.988 1.00 0.00 H new ATOM 951 N PHE A 83 -17.028 -6.236 -12.662 1.00 0.00 N ATOM 952 CA PHE A 83 -17.785 -5.005 -12.415 1.00 0.00 C ATOM 953 C PHE A 83 -16.893 -3.976 -11.684 1.00 0.00 C ATOM 954 O PHE A 83 -16.500 -4.183 -10.532 1.00 0.00 O ATOM 955 CB PHE A 83 -19.072 -5.334 -11.611 1.00 0.00 C ATOM 956 CG PHE A 83 -20.078 -4.190 -11.494 1.00 0.00 C ATOM 957 CD1 PHE A 83 -20.266 -3.280 -12.539 1.00 0.00 C ATOM 958 CD2 PHE A 83 -20.856 -4.036 -10.351 1.00 0.00 C ATOM 959 CE1 PHE A 83 -21.189 -2.259 -12.438 1.00 0.00 C ATOM 960 CE2 PHE A 83 -21.780 -3.015 -10.250 1.00 0.00 C ATOM 961 CZ PHE A 83 -21.946 -2.126 -11.292 1.00 0.00 C ATOM 0 H PHE A 83 -17.201 -6.969 -11.974 1.00 0.00 H new ATOM 0 HA PHE A 83 -18.090 -4.561 -13.362 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -19.567 -6.184 -12.080 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -18.784 -5.647 -10.607 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -19.679 -3.378 -13.440 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -20.735 -4.726 -9.529 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -21.319 -1.565 -13.255 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -22.374 -2.912 -9.354 1.00 0.00 H new ATOM 0 HZ PHE A 83 -22.668 -1.327 -11.211 1.00 0.00 H new ATOM 971 N GLU A 84 -16.598 -2.863 -12.385 1.00 0.00 N ATOM 972 CA GLU A 84 -15.642 -1.825 -11.944 1.00 0.00 C ATOM 973 C GLU A 84 -15.987 -1.225 -10.563 1.00 0.00 C ATOM 974 O GLU A 84 -15.092 -0.868 -9.790 1.00 0.00 O ATOM 975 CB GLU A 84 -15.557 -0.715 -13.016 1.00 0.00 C ATOM 976 CG GLU A 84 -16.896 0.008 -13.295 1.00 0.00 C ATOM 977 CD GLU A 84 -16.779 1.078 -14.385 1.00 0.00 C ATOM 978 OE1 GLU A 84 -16.345 2.205 -14.077 1.00 0.00 O ATOM 979 OE2 GLU A 84 -17.099 0.789 -15.561 1.00 0.00 O ATOM 0 H GLU A 84 -17.024 -2.656 -13.288 1.00 0.00 H new ATOM 0 HA GLU A 84 -14.671 -2.307 -11.827 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -14.819 0.022 -12.700 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -15.193 -1.152 -13.946 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -17.645 -0.726 -13.592 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -17.252 0.471 -12.375 1.00 0.00 H new ATOM 986 N ASP A 85 -17.289 -1.150 -10.270 1.00 0.00 N ATOM 987 CA ASP A 85 -17.811 -0.585 -9.015 1.00 0.00 C ATOM 988 C ASP A 85 -17.455 -1.468 -7.798 1.00 0.00 C ATOM 989 O ASP A 85 -17.088 -0.960 -6.736 1.00 0.00 O ATOM 990 CB ASP A 85 -19.353 -0.414 -9.140 1.00 0.00 C ATOM 991 CG ASP A 85 -20.048 0.001 -7.826 1.00 0.00 C ATOM 992 OD1 ASP A 85 -20.032 1.199 -7.487 1.00 0.00 O ATOM 993 OD2 ASP A 85 -20.618 -0.870 -7.131 1.00 0.00 O ATOM 0 H ASP A 85 -18.019 -1.482 -10.900 1.00 0.00 H new ATOM 0 HA ASP A 85 -17.345 0.386 -8.848 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -19.564 0.335 -9.903 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -19.785 -1.353 -9.487 1.00 0.00 H new ATOM 998 N THR A 86 -17.557 -2.793 -7.973 1.00 0.00 N ATOM 999 CA THR A 86 -17.437 -3.769 -6.871 1.00 0.00 C ATOM 1000 C THR A 86 -16.002 -4.354 -6.737 1.00 0.00 C ATOM 1001 O THR A 86 -15.649 -4.889 -5.675 1.00 0.00 O ATOM 1002 CB THR A 86 -18.496 -4.908 -7.067 1.00 0.00 C ATOM 1003 OG1 THR A 86 -18.384 -5.452 -8.387 1.00 0.00 O ATOM 1004 CG2 THR A 86 -19.939 -4.395 -6.867 1.00 0.00 C ATOM 0 H THR A 86 -17.725 -3.223 -8.883 1.00 0.00 H new ATOM 0 HA THR A 86 -17.634 -3.243 -5.937 1.00 0.00 H new ATOM 0 HB THR A 86 -18.293 -5.672 -6.316 1.00 0.00 H new ATOM 0 HG1 THR A 86 -17.476 -5.794 -8.524 1.00 0.00 H new ATOM 0 HG21 THR A 86 -20.641 -5.216 -7.012 1.00 0.00 H new ATOM 0 HG22 THR A 86 -20.048 -3.999 -5.857 1.00 0.00 H new ATOM 0 HG23 THR A 86 -20.149 -3.607 -7.590 1.00 0.00 H new ATOM 1012 N ARG A 87 -15.173 -4.224 -7.801 1.00 0.00 N ATOM 1013 CA ARG A 87 -13.791 -4.787 -7.828 1.00 0.00 C ATOM 1014 C ARG A 87 -12.848 -3.997 -6.910 1.00 0.00 C ATOM 1015 O ARG A 87 -11.952 -4.565 -6.274 1.00 0.00 O ATOM 1016 CB ARG A 87 -13.215 -4.792 -9.272 1.00 0.00 C ATOM 1017 CG ARG A 87 -12.968 -3.395 -9.866 1.00 0.00 C ATOM 1018 CD ARG A 87 -12.317 -3.414 -11.252 1.00 0.00 C ATOM 1019 NE ARG A 87 -12.090 -2.036 -11.737 1.00 0.00 N ATOM 1020 CZ ARG A 87 -11.346 -1.695 -12.796 1.00 0.00 C ATOM 1021 NH1 ARG A 87 -10.713 -2.622 -13.514 1.00 0.00 N ATOM 1022 NH2 ARG A 87 -11.228 -0.418 -13.129 1.00 0.00 N ATOM 0 H ARG A 87 -15.434 -3.734 -8.656 1.00 0.00 H new ATOM 0 HA ARG A 87 -13.859 -5.813 -7.467 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -12.275 -5.344 -9.273 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -13.903 -5.333 -9.922 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -13.918 -2.865 -9.929 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -12.332 -2.829 -9.185 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -11.369 -3.951 -11.208 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -12.956 -3.952 -11.953 1.00 0.00 H new ATOM 0 HE ARG A 87 -12.539 -1.280 -11.220 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -10.792 -3.606 -13.259 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -10.150 -2.347 -14.319 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -11.703 0.298 -12.579 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -10.663 -0.151 -13.935 1.00 0.00 H new ATOM 1036 N GLU A 88 -13.079 -2.680 -6.854 1.00 0.00 N ATOM 1037 CA GLU A 88 -12.237 -1.727 -6.113 1.00 0.00 C ATOM 1038 C GLU A 88 -12.382 -1.919 -4.591 1.00 0.00 C ATOM 1039 O GLU A 88 -11.464 -1.612 -3.829 1.00 0.00 O ATOM 1040 CB GLU A 88 -12.614 -0.286 -6.537 1.00 0.00 C ATOM 1041 CG GLU A 88 -14.110 0.043 -6.373 1.00 0.00 C ATOM 1042 CD GLU A 88 -14.480 1.473 -6.789 1.00 0.00 C ATOM 1043 OE1 GLU A 88 -14.310 2.404 -5.969 1.00 0.00 O ATOM 1044 OE2 GLU A 88 -14.936 1.673 -7.936 1.00 0.00 O ATOM 0 H GLU A 88 -13.867 -2.238 -7.328 1.00 0.00 H new ATOM 0 HA GLU A 88 -11.190 -1.909 -6.355 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -12.030 0.420 -5.947 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -12.332 -0.139 -7.580 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -14.694 -0.660 -6.966 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -14.393 -0.107 -5.331 1.00 0.00 H new ATOM 1051 N SER A 89 -13.546 -2.453 -4.174 1.00 0.00 N ATOM 1052 CA SER A 89 -13.848 -2.740 -2.763 1.00 0.00 C ATOM 1053 C SER A 89 -13.207 -4.081 -2.323 1.00 0.00 C ATOM 1054 O SER A 89 -13.026 -4.324 -1.122 1.00 0.00 O ATOM 1055 CB SER A 89 -15.375 -2.748 -2.557 1.00 0.00 C ATOM 1056 OG SER A 89 -15.733 -2.944 -1.198 1.00 0.00 O ATOM 0 H SER A 89 -14.305 -2.697 -4.811 1.00 0.00 H new ATOM 0 HA SER A 89 -13.417 -1.959 -2.137 1.00 0.00 H new ATOM 0 HB2 SER A 89 -15.792 -1.804 -2.908 1.00 0.00 H new ATOM 0 HB3 SER A 89 -15.817 -3.537 -3.165 1.00 0.00 H new ATOM 0 HG SER A 89 -16.650 -2.631 -1.053 1.00 0.00 H new ATOM 1062 N MET A 90 -12.815 -4.927 -3.309 1.00 0.00 N ATOM 1063 CA MET A 90 -12.185 -6.249 -3.048 1.00 0.00 C ATOM 1064 C MET A 90 -10.737 -6.126 -2.527 1.00 0.00 C ATOM 1065 O MET A 90 -10.085 -7.146 -2.252 1.00 0.00 O ATOM 1066 CB MET A 90 -12.253 -7.149 -4.309 1.00 0.00 C ATOM 1067 CG MET A 90 -13.680 -7.542 -4.695 1.00 0.00 C ATOM 1068 SD MET A 90 -14.515 -8.391 -3.337 1.00 0.00 S ATOM 1069 CE MET A 90 -16.202 -8.407 -3.914 1.00 0.00 C ATOM 0 H MET A 90 -12.925 -4.715 -4.301 1.00 0.00 H new ATOM 0 HA MET A 90 -12.760 -6.723 -2.252 1.00 0.00 H new ATOM 0 HB2 MET A 90 -11.789 -6.627 -5.145 1.00 0.00 H new ATOM 0 HB3 MET A 90 -11.669 -8.053 -4.134 1.00 0.00 H new ATOM 0 HG2 MET A 90 -14.243 -6.651 -4.971 1.00 0.00 H new ATOM 0 HG3 MET A 90 -13.657 -8.189 -5.572 1.00 0.00 H new ATOM 0 HE1 MET A 90 -16.843 -8.853 -3.153 1.00 0.00 H new ATOM 0 HE2 MET A 90 -16.529 -7.386 -4.110 1.00 0.00 H new ATOM 0 HE3 MET A 90 -16.267 -8.992 -4.832 1.00 0.00 H new ATOM 1079 N HIS A 91 -10.253 -4.876 -2.372 1.00 0.00 N ATOM 1080 CA HIS A 91 -8.964 -4.580 -1.718 1.00 0.00 C ATOM 1081 C HIS A 91 -8.982 -5.031 -0.237 1.00 0.00 C ATOM 1082 O HIS A 91 -7.960 -5.461 0.309 1.00 0.00 O ATOM 1083 CB HIS A 91 -8.631 -3.061 -1.819 1.00 0.00 C ATOM 1084 CG HIS A 91 -9.377 -2.158 -0.853 1.00 0.00 C ATOM 1085 ND1 HIS A 91 -10.636 -1.654 -0.882 1.00 0.00 N flip ATOM 1086 CD2 HIS A 91 -8.814 -1.679 0.315 1.00 0.00 C flip ATOM 1087 CE1 HIS A 91 -10.800 -0.893 0.247 1.00 0.00 C flip ATOM 1088 NE2 HIS A 91 -9.688 -0.926 0.950 1.00 0.00 N flip ATOM 0 H HIS A 91 -10.746 -4.044 -2.697 1.00 0.00 H new ATOM 0 HA HIS A 91 -8.186 -5.139 -2.238 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -7.561 -2.931 -1.657 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -8.842 -2.728 -2.835 1.00 0.00 H new ATOM 0 HD1 HIS A 91 -11.333 -1.812 -1.610 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -7.811 -1.890 0.655 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -11.696 -0.354 0.516 1.00 0.00 H new ATOM 1097 N ALA A 92 -10.170 -4.931 0.391 1.00 0.00 N ATOM 1098 CA ALA A 92 -10.377 -5.315 1.800 1.00 0.00 C ATOM 1099 C ALA A 92 -10.501 -6.841 1.949 1.00 0.00 C ATOM 1100 O ALA A 92 -10.267 -7.385 3.028 1.00 0.00 O ATOM 1101 CB ALA A 92 -11.634 -4.624 2.358 1.00 0.00 C ATOM 0 H ALA A 92 -11.013 -4.582 -0.065 1.00 0.00 H new ATOM 0 HA ALA A 92 -9.507 -4.990 2.370 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -11.777 -4.915 3.399 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -11.512 -3.543 2.297 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -12.504 -4.925 1.774 1.00 0.00 H new ATOM 1107 N PHE A 93 -10.888 -7.517 0.853 1.00 0.00 N ATOM 1108 CA PHE A 93 -11.097 -8.980 0.833 1.00 0.00 C ATOM 1109 C PHE A 93 -9.797 -9.718 0.443 1.00 0.00 C ATOM 1110 O PHE A 93 -9.617 -10.882 0.817 1.00 0.00 O ATOM 1111 CB PHE A 93 -12.239 -9.337 -0.161 1.00 0.00 C ATOM 1112 CG PHE A 93 -13.600 -8.718 0.188 1.00 0.00 C ATOM 1113 CD1 PHE A 93 -13.871 -7.374 -0.079 1.00 0.00 C ATOM 1114 CD2 PHE A 93 -14.606 -9.475 0.787 1.00 0.00 C ATOM 1115 CE1 PHE A 93 -15.094 -6.810 0.235 1.00 0.00 C ATOM 1116 CE2 PHE A 93 -15.829 -8.905 1.099 1.00 0.00 C ATOM 1117 CZ PHE A 93 -16.072 -7.579 0.823 1.00 0.00 C ATOM 0 H PHE A 93 -11.065 -7.067 -0.045 1.00 0.00 H new ATOM 0 HA PHE A 93 -11.381 -9.303 1.835 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -11.950 -9.010 -1.160 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -12.346 -10.421 -0.199 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -13.110 -6.763 -0.540 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -14.430 -10.517 1.010 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -15.281 -5.768 0.019 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -16.598 -9.506 1.562 1.00 0.00 H new ATOM 0 HZ PHE A 93 -17.029 -7.142 1.068 1.00 0.00 H new ATOM 1127 N CYS A 94 -8.891 -9.032 -0.299 1.00 0.00 N ATOM 1128 CA CYS A 94 -7.608 -9.619 -0.734 1.00 0.00 C ATOM 1129 C CYS A 94 -6.595 -9.575 0.420 1.00 0.00 C ATOM 1130 O CYS A 94 -6.110 -8.504 0.802 1.00 0.00 O ATOM 1131 CB CYS A 94 -7.057 -8.906 -1.998 1.00 0.00 C ATOM 1132 SG CYS A 94 -6.695 -7.149 -1.805 1.00 0.00 S ATOM 0 H CYS A 94 -9.031 -8.070 -0.607 1.00 0.00 H new ATOM 0 HA CYS A 94 -7.779 -10.660 -1.006 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -6.145 -9.414 -2.312 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -7.781 -9.023 -2.804 1.00 0.00 H new ATOM 0 HG CYS A 94 -7.121 -6.743 -0.646 1.00 0.00 H new ATOM 1138 N VAL A 95 -6.331 -10.755 0.998 1.00 0.00 N ATOM 1139 CA VAL A 95 -5.363 -10.927 2.093 1.00 0.00 C ATOM 1140 C VAL A 95 -3.916 -10.870 1.544 1.00 0.00 C ATOM 1141 O VAL A 95 -2.985 -10.452 2.249 1.00 0.00 O ATOM 1142 CB VAL A 95 -5.605 -12.284 2.857 1.00 0.00 C ATOM 1143 CG1 VAL A 95 -4.703 -12.402 4.120 1.00 0.00 C ATOM 1144 CG2 VAL A 95 -7.109 -12.462 3.214 1.00 0.00 C ATOM 0 H VAL A 95 -6.786 -11.624 0.718 1.00 0.00 H new ATOM 0 HA VAL A 95 -5.505 -10.111 2.801 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.323 -13.095 2.185 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -4.899 -13.351 4.620 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -3.655 -12.357 3.824 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -4.923 -11.581 4.802 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -7.249 -13.406 3.741 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -7.431 -11.639 3.852 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -7.702 -12.465 2.299 1.00 0.00 H new ATOM 1154 N GLY A 96 -3.747 -11.286 0.276 1.00 0.00 N ATOM 1155 CA GLY A 96 -2.448 -11.232 -0.399 1.00 0.00 C ATOM 1156 C GLY A 96 -2.523 -11.710 -1.840 1.00 0.00 C ATOM 1157 O GLY A 96 -3.616 -11.816 -2.400 1.00 0.00 O ATOM 0 H GLY A 96 -4.500 -11.664 -0.299 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -2.073 -10.209 -0.378 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -1.732 -11.846 0.148 1.00 0.00 H new ATOM 1161 N GLN A 97 -1.354 -11.959 -2.449 1.00 0.00 N ATOM 1162 CA GLN A 97 -1.236 -12.609 -3.769 1.00 0.00 C ATOM 1163 C GLN A 97 -0.916 -14.094 -3.566 1.00 0.00 C ATOM 1164 O GLN A 97 -0.100 -14.442 -2.716 1.00 0.00 O ATOM 1165 CB GLN A 97 -0.106 -11.956 -4.609 1.00 0.00 C ATOM 1166 CG GLN A 97 0.165 -12.618 -5.981 1.00 0.00 C ATOM 1167 CD GLN A 97 1.428 -12.112 -6.685 1.00 0.00 C ATOM 1168 OE1 GLN A 97 1.843 -10.964 -6.516 1.00 0.00 O ATOM 1169 NE2 GLN A 97 2.038 -12.968 -7.490 1.00 0.00 N ATOM 0 H GLN A 97 -0.454 -11.714 -2.038 1.00 0.00 H new ATOM 0 HA GLN A 97 -2.179 -12.490 -4.303 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -0.357 -10.908 -4.773 1.00 0.00 H new ATOM 0 HB3 GLN A 97 0.815 -11.976 -4.026 1.00 0.00 H new ATOM 0 HG2 GLN A 97 0.248 -13.696 -5.841 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -0.693 -12.446 -6.631 1.00 0.00 H new ATOM 0 HE21 GLN A 97 1.667 -13.911 -7.607 1.00 0.00 H new ATOM 0 HE22 GLN A 97 2.879 -12.684 -7.993 1.00 0.00 H new ATOM 1178 N TYR A 98 -1.551 -14.947 -4.363 1.00 0.00 N ATOM 1179 CA TYR A 98 -1.262 -16.380 -4.408 1.00 0.00 C ATOM 1180 C TYR A 98 -0.001 -16.636 -5.240 1.00 0.00 C ATOM 1181 O TYR A 98 0.047 -16.293 -6.427 1.00 0.00 O ATOM 1182 CB TYR A 98 -2.465 -17.128 -5.017 1.00 0.00 C ATOM 1183 CG TYR A 98 -2.327 -18.657 -5.045 1.00 0.00 C ATOM 1184 CD1 TYR A 98 -2.474 -19.411 -3.879 1.00 0.00 C ATOM 1185 CD2 TYR A 98 -2.061 -19.344 -6.235 1.00 0.00 C ATOM 1186 CE1 TYR A 98 -2.361 -20.784 -3.904 1.00 0.00 C ATOM 1187 CE2 TYR A 98 -1.954 -20.716 -6.257 1.00 0.00 C ATOM 1188 CZ TYR A 98 -2.103 -21.428 -5.093 1.00 0.00 C ATOM 1189 OH TYR A 98 -2.015 -22.799 -5.130 1.00 0.00 O ATOM 0 H TYR A 98 -2.290 -14.661 -5.005 1.00 0.00 H new ATOM 0 HA TYR A 98 -1.089 -16.746 -3.396 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -3.360 -16.869 -4.452 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -2.618 -16.773 -6.036 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -2.679 -18.911 -2.944 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -1.937 -18.788 -7.152 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -2.475 -21.353 -2.993 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -1.754 -21.230 -7.186 1.00 0.00 H new ATOM 0 HH TYR A 98 -1.829 -23.090 -6.047 1.00 0.00 H new ATOM 1199 N LEU A 99 1.021 -17.209 -4.603 1.00 0.00 N ATOM 1200 CA LEU A 99 2.212 -17.702 -5.291 1.00 0.00 C ATOM 1201 C LEU A 99 2.055 -19.226 -5.454 1.00 0.00 C ATOM 1202 O LEU A 99 2.024 -19.960 -4.460 1.00 0.00 O ATOM 1203 CB LEU A 99 3.515 -17.329 -4.502 1.00 0.00 C ATOM 1204 CG LEU A 99 4.840 -17.192 -5.350 1.00 0.00 C ATOM 1205 CD1 LEU A 99 6.032 -16.791 -4.467 1.00 0.00 C ATOM 1206 CD2 LEU A 99 5.192 -18.463 -6.155 1.00 0.00 C ATOM 0 H LEU A 99 1.045 -17.344 -3.592 1.00 0.00 H new ATOM 0 HA LEU A 99 2.309 -17.235 -6.271 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.342 -16.385 -3.985 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.678 -18.087 -3.735 1.00 0.00 H new ATOM 0 HG LEU A 99 4.639 -16.400 -6.071 1.00 0.00 H new ATOM 0 HD11 LEU A 99 6.928 -16.705 -5.082 1.00 0.00 H new ATOM 0 HD12 LEU A 99 5.826 -15.832 -3.991 1.00 0.00 H new ATOM 0 HD13 LEU A 99 6.189 -17.550 -3.701 1.00 0.00 H new ATOM 0 HD21 LEU A 99 6.113 -18.297 -6.713 1.00 0.00 H new ATOM 0 HD22 LEU A 99 5.328 -19.301 -5.471 1.00 0.00 H new ATOM 0 HD23 LEU A 99 4.383 -18.690 -6.849 1.00 0.00 H new ATOM 1218 N GLU A 100 1.940 -19.685 -6.707 1.00 0.00 N ATOM 1219 CA GLU A 100 1.908 -21.116 -7.032 1.00 0.00 C ATOM 1220 C GLU A 100 3.358 -21.659 -7.050 1.00 0.00 C ATOM 1221 O GLU A 100 4.219 -21.049 -7.688 1.00 0.00 O ATOM 1222 CB GLU A 100 1.205 -21.352 -8.400 1.00 0.00 C ATOM 1223 CG GLU A 100 1.126 -22.832 -8.830 1.00 0.00 C ATOM 1224 CD GLU A 100 0.296 -23.042 -10.097 1.00 0.00 C ATOM 1225 OE1 GLU A 100 0.853 -22.962 -11.213 1.00 0.00 O ATOM 1226 OE2 GLU A 100 -0.927 -23.276 -9.979 1.00 0.00 O ATOM 0 H GLU A 100 1.867 -19.076 -7.522 1.00 0.00 H new ATOM 0 HA GLU A 100 1.335 -21.651 -6.275 1.00 0.00 H new ATOM 0 HB2 GLU A 100 0.194 -20.947 -8.350 1.00 0.00 H new ATOM 0 HB3 GLU A 100 1.736 -20.791 -9.169 1.00 0.00 H new ATOM 0 HG2 GLU A 100 2.134 -23.211 -8.996 1.00 0.00 H new ATOM 0 HG3 GLU A 100 0.695 -23.418 -8.018 1.00 0.00 H new ATOM 1233 N PRO A 101 3.655 -22.798 -6.332 1.00 0.00 N ATOM 1234 CA PRO A 101 5.024 -23.396 -6.261 1.00 0.00 C ATOM 1235 C PRO A 101 5.659 -23.658 -7.653 1.00 0.00 C ATOM 1236 O PRO A 101 6.881 -23.541 -7.820 1.00 0.00 O ATOM 1237 CB PRO A 101 4.796 -24.735 -5.489 1.00 0.00 C ATOM 1238 CG PRO A 101 3.317 -24.961 -5.522 1.00 0.00 C ATOM 1239 CD PRO A 101 2.701 -23.589 -5.511 1.00 0.00 C ATOM 0 HA PRO A 101 5.728 -22.720 -5.775 1.00 0.00 H new ATOM 0 HB2 PRO A 101 5.331 -25.558 -5.963 1.00 0.00 H new ATOM 0 HB3 PRO A 101 5.161 -24.666 -4.464 1.00 0.00 H new ATOM 0 HG2 PRO A 101 3.024 -25.515 -6.414 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.990 -25.545 -4.662 1.00 0.00 H new ATOM 0 HD2 PRO A 101 1.700 -23.591 -5.942 1.00 0.00 H new ATOM 0 HD3 PRO A 101 2.612 -23.193 -4.499 1.00 0.00 H new ATOM 1247 N ASP A 102 4.799 -23.996 -8.637 1.00 0.00 N ATOM 1248 CA ASP A 102 5.208 -24.246 -10.039 1.00 0.00 C ATOM 1249 C ASP A 102 5.742 -22.954 -10.683 1.00 0.00 C ATOM 1250 O ASP A 102 6.793 -22.967 -11.323 1.00 0.00 O ATOM 1251 CB ASP A 102 4.016 -24.807 -10.866 1.00 0.00 C ATOM 1252 CG ASP A 102 4.377 -25.074 -12.348 1.00 0.00 C ATOM 1253 OD1 ASP A 102 5.090 -26.062 -12.622 1.00 0.00 O ATOM 1254 OD2 ASP A 102 3.954 -24.301 -13.232 1.00 0.00 O ATOM 0 H ASP A 102 3.797 -24.104 -8.482 1.00 0.00 H new ATOM 0 HA ASP A 102 6.006 -24.989 -10.035 1.00 0.00 H new ATOM 0 HB2 ASP A 102 3.670 -25.734 -10.410 1.00 0.00 H new ATOM 0 HB3 ASP A 102 3.187 -24.101 -10.822 1.00 0.00 H new ATOM 1259 N GLN A 103 5.014 -21.839 -10.456 1.00 0.00 N ATOM 1260 CA GLN A 103 5.361 -20.497 -10.989 1.00 0.00 C ATOM 1261 C GLN A 103 6.762 -20.055 -10.512 1.00 0.00 C ATOM 1262 O GLN A 103 7.505 -19.386 -11.244 1.00 0.00 O ATOM 1263 CB GLN A 103 4.289 -19.459 -10.545 1.00 0.00 C ATOM 1264 CG GLN A 103 4.427 -18.054 -11.171 1.00 0.00 C ATOM 1265 CD GLN A 103 4.323 -18.058 -12.702 1.00 0.00 C ATOM 1266 OE1 GLN A 103 3.228 -17.958 -13.258 1.00 0.00 O ATOM 1267 NE2 GLN A 103 5.454 -18.176 -13.393 1.00 0.00 N ATOM 0 H GLN A 103 4.163 -21.842 -9.894 1.00 0.00 H new ATOM 0 HA GLN A 103 5.378 -20.553 -12.077 1.00 0.00 H new ATOM 0 HB2 GLN A 103 3.303 -19.853 -10.792 1.00 0.00 H new ATOM 0 HB3 GLN A 103 4.331 -19.360 -9.460 1.00 0.00 H new ATOM 0 HG2 GLN A 103 3.653 -17.405 -10.763 1.00 0.00 H new ATOM 0 HG3 GLN A 103 5.387 -17.627 -10.880 1.00 0.00 H new ATOM 0 HE21 GLN A 103 6.345 -18.257 -12.903 1.00 0.00 H new ATOM 0 HE22 GLN A 103 5.430 -18.186 -14.413 1.00 0.00 H new ATOM 1276 N GLU A 104 7.095 -20.453 -9.279 1.00 0.00 N ATOM 1277 CA GLU A 104 8.385 -20.155 -8.652 1.00 0.00 C ATOM 1278 C GLU A 104 9.483 -21.100 -9.171 1.00 0.00 C ATOM 1279 O GLU A 104 10.619 -20.669 -9.425 1.00 0.00 O ATOM 1280 CB GLU A 104 8.253 -20.272 -7.112 1.00 0.00 C ATOM 1281 CG GLU A 104 9.480 -19.783 -6.314 1.00 0.00 C ATOM 1282 CD GLU A 104 9.846 -18.313 -6.596 1.00 0.00 C ATOM 1283 OE1 GLU A 104 9.100 -17.404 -6.167 1.00 0.00 O ATOM 1284 OE2 GLU A 104 10.872 -18.052 -7.258 1.00 0.00 O ATOM 0 H GLU A 104 6.470 -20.996 -8.684 1.00 0.00 H new ATOM 0 HA GLU A 104 8.673 -19.136 -8.912 1.00 0.00 H new ATOM 0 HB2 GLU A 104 7.380 -19.702 -6.793 1.00 0.00 H new ATOM 0 HB3 GLU A 104 8.064 -21.315 -6.857 1.00 0.00 H new ATOM 0 HG2 GLU A 104 9.283 -19.903 -5.249 1.00 0.00 H new ATOM 0 HG3 GLU A 104 10.335 -20.415 -6.553 1.00 0.00 H new ATOM 1291 N GLY A 105 9.124 -22.388 -9.329 1.00 0.00 N ATOM 1292 CA GLY A 105 10.071 -23.430 -9.743 1.00 0.00 C ATOM 1293 C GLY A 105 10.549 -23.265 -11.185 1.00 0.00 C ATOM 1294 O GLY A 105 11.743 -23.027 -11.431 1.00 0.00 O ATOM 0 H GLY A 105 8.176 -22.730 -9.174 1.00 0.00 H new ATOM 0 HA2 GLY A 105 10.933 -23.415 -9.076 1.00 0.00 H new ATOM 0 HA3 GLY A 105 9.599 -24.406 -9.632 1.00 0.00 H new ATOM 1298 N VAL A 106 9.602 -23.382 -12.128 1.00 0.00 N ATOM 1299 CA VAL A 106 9.851 -23.194 -13.567 1.00 0.00 C ATOM 1300 C VAL A 106 8.526 -22.883 -14.300 1.00 0.00 C ATOM 1301 O VAL A 106 7.492 -23.516 -14.047 1.00 0.00 O ATOM 1302 CB VAL A 106 10.573 -24.447 -14.223 1.00 0.00 C ATOM 1303 CG1 VAL A 106 9.734 -25.742 -14.081 1.00 0.00 C ATOM 1304 CG2 VAL A 106 10.952 -24.171 -15.705 1.00 0.00 C ATOM 0 H VAL A 106 8.632 -23.612 -11.912 1.00 0.00 H new ATOM 0 HA VAL A 106 10.528 -22.346 -13.674 1.00 0.00 H new ATOM 0 HB VAL A 106 11.499 -24.608 -13.671 1.00 0.00 H new ATOM 0 HG11 VAL A 106 10.266 -26.573 -14.544 1.00 0.00 H new ATOM 0 HG12 VAL A 106 9.573 -25.957 -13.025 1.00 0.00 H new ATOM 0 HG13 VAL A 106 8.771 -25.608 -14.575 1.00 0.00 H new ATOM 0 HG21 VAL A 106 11.444 -25.049 -16.124 1.00 0.00 H new ATOM 0 HG22 VAL A 106 10.050 -23.953 -16.277 1.00 0.00 H new ATOM 0 HG23 VAL A 106 11.628 -23.317 -15.755 1.00 0.00 H new ATOM 1314 N THR A 107 8.579 -21.888 -15.196 1.00 0.00 N ATOM 1315 CA THR A 107 7.473 -21.530 -16.094 1.00 0.00 C ATOM 1316 C THR A 107 7.903 -21.804 -17.550 1.00 0.00 C ATOM 1317 O THR A 107 8.962 -21.346 -17.990 1.00 0.00 O ATOM 1318 CB THR A 107 7.019 -20.035 -15.890 1.00 0.00 C ATOM 1319 OG1 THR A 107 5.941 -19.710 -16.779 1.00 0.00 O ATOM 1320 CG2 THR A 107 8.165 -19.021 -16.073 1.00 0.00 C ATOM 0 H THR A 107 9.404 -21.301 -15.319 1.00 0.00 H new ATOM 0 HA THR A 107 6.605 -22.146 -15.857 1.00 0.00 H new ATOM 0 HB THR A 107 6.685 -19.958 -14.855 1.00 0.00 H new ATOM 0 HG1 THR A 107 5.670 -18.779 -16.638 1.00 0.00 H new ATOM 0 HG21 THR A 107 7.785 -18.011 -15.919 1.00 0.00 H new ATOM 0 HG22 THR A 107 8.952 -19.227 -15.348 1.00 0.00 H new ATOM 0 HG23 THR A 107 8.569 -19.107 -17.082 1.00 0.00 H new ATOM 1328 N ILE A 108 7.105 -22.610 -18.276 1.00 0.00 N ATOM 1329 CA ILE A 108 7.386 -22.959 -19.683 1.00 0.00 C ATOM 1330 C ILE A 108 6.703 -21.940 -20.628 1.00 0.00 C ATOM 1331 O ILE A 108 5.475 -21.806 -20.591 1.00 0.00 O ATOM 1332 CB ILE A 108 6.912 -24.426 -20.029 1.00 0.00 C ATOM 1333 CG1 ILE A 108 7.680 -25.465 -19.143 1.00 0.00 C ATOM 1334 CG2 ILE A 108 7.084 -24.733 -21.544 1.00 0.00 C ATOM 1335 CD1 ILE A 108 7.312 -26.925 -19.383 1.00 0.00 C ATOM 0 H ILE A 108 6.254 -23.035 -17.908 1.00 0.00 H new ATOM 0 HA ILE A 108 8.466 -22.920 -19.826 1.00 0.00 H new ATOM 0 HB ILE A 108 5.848 -24.506 -19.805 1.00 0.00 H new ATOM 0 HG12 ILE A 108 8.750 -25.344 -19.315 1.00 0.00 H new ATOM 0 HG13 ILE A 108 7.497 -25.229 -18.095 1.00 0.00 H new ATOM 0 HG21 ILE A 108 6.749 -25.750 -21.750 1.00 0.00 H new ATOM 0 HG22 ILE A 108 6.489 -24.030 -22.127 1.00 0.00 H new ATOM 0 HG23 ILE A 108 8.134 -24.635 -21.818 1.00 0.00 H new ATOM 0 HD11 ILE A 108 7.899 -27.562 -18.721 1.00 0.00 H new ATOM 0 HD12 ILE A 108 6.251 -27.071 -19.180 1.00 0.00 H new ATOM 0 HD13 ILE A 108 7.523 -27.188 -20.420 1.00 0.00 H new ATOM 1347 N PRO A 109 7.486 -21.176 -21.459 1.00 0.00 N ATOM 1348 CA PRO A 109 6.926 -20.276 -22.476 1.00 0.00 C ATOM 1349 C PRO A 109 6.673 -21.003 -23.823 1.00 0.00 C ATOM 1350 O PRO A 109 7.608 -21.274 -24.589 1.00 0.00 O ATOM 1351 CB PRO A 109 8.004 -19.169 -22.580 1.00 0.00 C ATOM 1352 CG PRO A 109 9.311 -19.848 -22.241 1.00 0.00 C ATOM 1353 CD PRO A 109 8.976 -21.112 -21.454 1.00 0.00 C ATOM 0 HA PRO A 109 5.944 -19.882 -22.215 1.00 0.00 H new ATOM 0 HB2 PRO A 109 8.032 -18.741 -23.582 1.00 0.00 H new ATOM 0 HB3 PRO A 109 7.795 -18.351 -21.890 1.00 0.00 H new ATOM 0 HG2 PRO A 109 9.862 -20.095 -23.148 1.00 0.00 H new ATOM 0 HG3 PRO A 109 9.946 -19.186 -21.652 1.00 0.00 H new ATOM 0 HD2 PRO A 109 9.412 -21.996 -21.920 1.00 0.00 H new ATOM 0 HD3 PRO A 109 9.367 -21.061 -20.438 1.00 0.00 H new ATOM 1361 N ASP A 110 5.398 -21.345 -24.073 1.00 0.00 N ATOM 1362 CA ASP A 110 4.963 -22.019 -25.320 1.00 0.00 C ATOM 1363 C ASP A 110 4.968 -21.038 -26.517 1.00 0.00 C ATOM 1364 O ASP A 110 4.552 -19.881 -26.382 1.00 0.00 O ATOM 1365 CB ASP A 110 3.547 -22.633 -25.133 1.00 0.00 C ATOM 1366 CG ASP A 110 2.954 -23.214 -26.435 1.00 0.00 C ATOM 1367 OD1 ASP A 110 3.420 -24.285 -26.890 1.00 0.00 O ATOM 1368 OD2 ASP A 110 2.020 -22.607 -27.005 1.00 0.00 O ATOM 0 H ASP A 110 4.636 -21.164 -23.420 1.00 0.00 H new ATOM 0 HA ASP A 110 5.671 -22.819 -25.537 1.00 0.00 H new ATOM 0 HB2 ASP A 110 3.597 -23.421 -24.382 1.00 0.00 H new ATOM 0 HB3 ASP A 110 2.875 -21.867 -24.747 1.00 0.00 H new ATOM 1373 N LEU A 111 5.437 -21.518 -27.683 1.00 0.00 N ATOM 1374 CA LEU A 111 5.427 -20.752 -28.943 1.00 0.00 C ATOM 1375 C LEU A 111 4.113 -21.034 -29.707 1.00 0.00 C ATOM 1376 O LEU A 111 3.507 -20.124 -30.282 1.00 0.00 O ATOM 1377 CB LEU A 111 6.661 -21.117 -29.836 1.00 0.00 C ATOM 1378 CG LEU A 111 8.088 -20.753 -29.279 1.00 0.00 C ATOM 1379 CD1 LEU A 111 8.505 -21.643 -28.081 1.00 0.00 C ATOM 1380 CD2 LEU A 111 9.158 -20.796 -30.404 1.00 0.00 C ATOM 0 H LEU A 111 5.835 -22.452 -27.778 1.00 0.00 H new ATOM 0 HA LEU A 111 5.490 -19.690 -28.705 1.00 0.00 H new ATOM 0 HB2 LEU A 111 6.636 -22.190 -30.024 1.00 0.00 H new ATOM 0 HB3 LEU A 111 6.539 -20.622 -30.799 1.00 0.00 H new ATOM 0 HG LEU A 111 8.025 -19.731 -28.905 1.00 0.00 H new ATOM 0 HD11 LEU A 111 9.497 -21.349 -27.737 1.00 0.00 H new ATOM 0 HD12 LEU A 111 7.788 -21.520 -27.269 1.00 0.00 H new ATOM 0 HD13 LEU A 111 8.524 -22.687 -28.393 1.00 0.00 H new ATOM 0 HD21 LEU A 111 10.133 -20.540 -29.989 1.00 0.00 H new ATOM 0 HD22 LEU A 111 9.197 -21.798 -30.831 1.00 0.00 H new ATOM 0 HD23 LEU A 111 8.896 -20.080 -31.183 1.00 0.00 H new ATOM 1392 N GLY A 112 3.685 -22.306 -29.689 1.00 0.00 N ATOM 1393 CA GLY A 112 2.493 -22.758 -30.415 1.00 0.00 C ATOM 1394 C GLY A 112 2.745 -24.051 -31.195 1.00 0.00 C ATOM 1395 O GLY A 112 3.897 -24.283 -31.611 1.00 0.00 O ATOM 1396 OXT GLY A 112 1.796 -24.834 -31.414 1.00 0.00 O ATOM 0 H GLY A 112 4.156 -23.047 -29.171 1.00 0.00 H new ATOM 0 HA2 GLY A 112 1.678 -22.915 -29.709 1.00 0.00 H new ATOM 0 HA3 GLY A 112 2.172 -21.977 -31.104 1.00 0.00 H new TER 1400 GLY A 112