USER MOD reduce.3.24.130724 H: found=0, std=0, add=861, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 858 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 33 TYR OH : rot 81:sc= 0.9 USER MOD Set 1.2: A 86 SER OG : rot -121:sc= 1.52 USER MOD Set 2.1: A 84 TYR OH : rot 180:sc= 0.057 USER MOD Set 2.2: A 101 TYR OH : rot -68:sc= 0.562 USER MOD Set 3.1: A 51 HIS : no HE2:sc= -4.43! C(o=-4.7!,f=-12!) USER MOD Set 3.2: A 63 GLN :FLIP amide:sc= -0.274 F(o=-5.4,f=-4.7) USER MOD Set 4.1: A 7 TYR OH : rot 165:sc= 1 USER MOD Set 4.2: A 109 THR OG1 : rot -174:sc= 1.22 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 22 SER OG : rot -80:sc= 1.21 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot -88:sc= 0.544 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 39 ASN : amide:sc= -2.43 K(o=-2.4,f=-4.5!) USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.3 USER MOD Single : A 58 ASN : amide:sc= -2.46 K(o=-2.5,f=-13!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc=-0.00522 K(o=-0.0052,f=-0.59) USER MOD Single : A 83 HIS : no HD1:sc= -0.226 K(o=-0.23,f=-0.93) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.143 USER MOD Single : A 94 GLN : amide:sc=-0.00364 K(o=-0.0036,f=-1.2) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 97 MET CE :methyl 145:sc= 0 (180deg=-1.92) USER MOD Single : A 98 GLN : amide:sc= -1.22! C(o=-1.2!,f=-2.8!) USER MOD Single : A 100 HIS : no HD1:sc= -5.19 K(o=-5.2,f=-5.8!) USER MOD Single : A 103 MET CE :methyl 135:sc= -5.69! (180deg=-8.85!) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 6 55.488 86.661 81.876 1.00 0.00 N ATOM 2 CA ARG A 6 54.242 86.954 82.643 1.00 0.00 C ATOM 3 C ARG A 6 53.953 88.460 82.637 1.00 0.00 C ATOM 4 O ARG A 6 52.819 88.880 82.802 1.00 0.00 O ATOM 5 CB ARG A 6 54.525 86.457 84.063 1.00 0.00 C ATOM 6 CG ARG A 6 53.288 86.668 84.940 1.00 0.00 C ATOM 7 CD ARG A 6 53.364 85.745 86.160 1.00 0.00 C ATOM 8 NE ARG A 6 54.494 86.270 86.977 1.00 0.00 N ATOM 9 CZ ARG A 6 54.626 85.896 88.221 1.00 0.00 C ATOM 10 NH1 ARG A 6 53.810 86.353 89.130 1.00 0.00 N ATOM 11 NH2 ARG A 6 55.574 85.062 88.555 1.00 0.00 N ATOM 0 HA ARG A 6 53.367 86.469 82.212 1.00 0.00 H new ATOM 0 HB2 ARG A 6 54.792 85.400 84.042 1.00 0.00 H new ATOM 0 HB3 ARG A 6 55.376 86.993 84.483 1.00 0.00 H new ATOM 0 HG2 ARG A 6 53.229 87.708 85.261 1.00 0.00 H new ATOM 0 HG3 ARG A 6 52.384 86.459 84.368 1.00 0.00 H new ATOM 0 HD2 ARG A 6 52.431 85.759 86.723 1.00 0.00 H new ATOM 0 HD3 ARG A 6 53.541 84.712 85.862 1.00 0.00 H new ATOM 0 HE ARG A 6 55.163 86.920 86.565 1.00 0.00 H new ATOM 0 HH11 ARG A 6 53.068 87.003 88.869 1.00 0.00 H new ATOM 0 HH12 ARG A 6 53.913 86.061 90.102 1.00 0.00 H new ATOM 0 HH21 ARG A 6 56.211 84.703 87.844 1.00 0.00 H new ATOM 0 HH22 ARG A 6 55.677 84.770 89.527 1.00 0.00 H new ATOM 25 N TYR A 7 54.966 89.273 82.446 1.00 31.93 N ATOM 26 CA TYR A 7 54.753 90.753 82.425 1.00 29.59 C ATOM 27 C TYR A 7 55.078 91.314 81.035 1.00 29.68 C ATOM 28 O TYR A 7 56.223 91.367 80.628 1.00 30.50 O ATOM 29 CB TYR A 7 55.720 91.316 83.469 1.00 27.35 C ATOM 30 CG TYR A 7 55.402 90.737 84.829 1.00 25.69 C ATOM 31 CD1 TYR A 7 54.105 90.834 85.348 1.00 23.78 C ATOM 32 CD2 TYR A 7 56.407 90.104 85.571 1.00 23.48 C ATOM 33 CE1 TYR A 7 53.813 90.299 86.608 1.00 22.01 C ATOM 34 CE2 TYR A 7 56.115 89.567 86.831 1.00 22.47 C ATOM 35 CZ TYR A 7 54.817 89.665 87.349 1.00 22.87 C ATOM 36 OH TYR A 7 54.528 89.137 88.592 1.00 25.71 O ATOM 0 H TYR A 7 55.931 88.974 82.304 1.00 31.93 H new ATOM 0 HA TYR A 7 53.720 91.021 82.645 1.00 29.59 H new ATOM 0 HB2 TYR A 7 56.747 91.076 83.193 1.00 27.35 H new ATOM 0 HB3 TYR A 7 55.644 92.403 83.500 1.00 27.35 H new ATOM 0 HD1 TYR A 7 53.330 91.322 84.776 1.00 23.78 H new ATOM 0 HD2 TYR A 7 57.408 90.030 85.171 1.00 23.48 H new ATOM 0 HE1 TYR A 7 52.813 90.375 87.008 1.00 22.01 H new ATOM 0 HE2 TYR A 7 56.890 89.078 87.403 1.00 22.47 H new ATOM 0 HH TYR A 7 55.250 88.534 88.867 1.00 25.71 H new ATOM 46 N ARG A 8 54.072 91.728 80.310 1.00 0.00 N ATOM 47 CA ARG A 8 54.296 92.289 78.942 1.00 0.00 C ATOM 48 C ARG A 8 53.194 93.292 78.591 1.00 0.00 C ATOM 49 O ARG A 8 52.023 93.060 78.821 1.00 0.00 O ATOM 50 CB ARG A 8 54.251 91.085 78.000 1.00 0.00 C ATOM 51 CG ARG A 8 55.592 90.351 78.046 1.00 0.00 C ATOM 52 CD ARG A 8 55.641 89.308 76.927 1.00 0.00 C ATOM 53 NE ARG A 8 55.733 90.099 75.668 1.00 0.00 N ATOM 54 CZ ARG A 8 56.899 90.457 75.206 1.00 0.00 C ATOM 55 NH1 ARG A 8 57.759 89.551 74.831 1.00 0.00 N ATOM 56 NH2 ARG A 8 57.205 91.723 75.118 1.00 0.00 N ATOM 0 H ARG A 8 53.097 91.702 80.608 1.00 0.00 H new ATOM 0 HA ARG A 8 55.243 92.823 78.869 1.00 0.00 H new ATOM 0 HB2 ARG A 8 53.445 90.411 78.292 1.00 0.00 H new ATOM 0 HB3 ARG A 8 54.039 91.414 76.983 1.00 0.00 H new ATOM 0 HG2 ARG A 8 56.411 91.061 77.932 1.00 0.00 H new ATOM 0 HG3 ARG A 8 55.721 89.868 79.014 1.00 0.00 H new ATOM 0 HD2 ARG A 8 56.500 88.646 77.041 1.00 0.00 H new ATOM 0 HD3 ARG A 8 54.751 88.679 76.934 1.00 0.00 H new ATOM 0 HE ARG A 8 54.884 90.361 75.167 1.00 0.00 H new ATOM 0 HH11 ARG A 8 57.520 88.562 74.899 1.00 0.00 H new ATOM 0 HH12 ARG A 8 58.671 89.832 74.470 1.00 0.00 H new ATOM 0 HH21 ARG A 8 56.532 92.432 75.411 1.00 0.00 H new ATOM 0 HH22 ARG A 8 58.117 92.003 74.757 1.00 0.00 H new ATOM 70 N VAL A 9 53.577 94.412 78.033 1.00 0.00 N ATOM 71 CA VAL A 9 52.589 95.466 77.650 1.00 0.00 C ATOM 72 C VAL A 9 53.123 96.252 76.447 1.00 0.00 C ATOM 73 O VAL A 9 54.125 96.934 76.529 1.00 0.00 O ATOM 74 CB VAL A 9 52.465 96.379 78.878 1.00 0.00 C ATOM 75 CG1 VAL A 9 51.465 97.506 78.590 1.00 0.00 C ATOM 76 CG2 VAL A 9 51.976 95.566 80.081 1.00 0.00 C ATOM 0 H VAL A 9 54.548 94.644 77.823 1.00 0.00 H new ATOM 0 HA VAL A 9 51.623 95.048 77.368 1.00 0.00 H new ATOM 0 HB VAL A 9 53.442 96.808 79.100 1.00 0.00 H new ATOM 0 HG11 VAL A 9 51.381 98.151 79.465 1.00 0.00 H new ATOM 0 HG12 VAL A 9 51.813 98.092 77.739 1.00 0.00 H new ATOM 0 HG13 VAL A 9 50.490 97.077 78.361 1.00 0.00 H new ATOM 0 HG21 VAL A 9 51.890 96.218 80.950 1.00 0.00 H new ATOM 0 HG22 VAL A 9 51.002 95.132 79.855 1.00 0.00 H new ATOM 0 HG23 VAL A 9 52.688 94.769 80.295 1.00 0.00 H new ATOM 86 N GLU A 10 52.439 96.171 75.337 1.00 0.00 N ATOM 87 CA GLU A 10 52.851 96.913 74.109 1.00 0.00 C ATOM 88 C GLU A 10 51.899 98.087 73.865 1.00 0.00 C ATOM 89 O GLU A 10 50.693 97.936 73.853 1.00 0.00 O ATOM 90 CB GLU A 10 52.735 95.889 72.978 1.00 0.00 C ATOM 91 CG GLU A 10 53.186 96.526 71.659 1.00 0.00 C ATOM 92 CD GLU A 10 53.075 95.509 70.516 1.00 0.00 C ATOM 93 OE1 GLU A 10 53.035 94.321 70.797 1.00 0.00 O ATOM 94 OE2 GLU A 10 53.030 95.938 69.374 1.00 0.00 O ATOM 0 H GLU A 10 51.594 95.610 75.228 1.00 0.00 H new ATOM 0 HA GLU A 10 53.857 97.326 74.187 1.00 0.00 H new ATOM 0 HB2 GLU A 10 53.348 95.016 73.200 1.00 0.00 H new ATOM 0 HB3 GLU A 10 51.705 95.542 72.892 1.00 0.00 H new ATOM 0 HG2 GLU A 10 52.572 97.399 71.440 1.00 0.00 H new ATOM 0 HG3 GLU A 10 54.215 96.874 71.748 1.00 0.00 H new ATOM 101 N VAL A 11 52.449 99.258 73.675 1.00 26.88 N ATOM 102 CA VAL A 11 51.608 100.468 73.432 1.00 26.83 C ATOM 103 C VAL A 11 51.932 101.059 72.055 1.00 27.58 C ATOM 104 O VAL A 11 53.082 101.157 71.671 1.00 28.21 O ATOM 105 CB VAL A 11 51.985 101.449 74.547 1.00 26.28 C ATOM 106 CG1 VAL A 11 51.175 102.739 74.396 1.00 26.50 C ATOM 107 CG2 VAL A 11 51.680 100.819 75.909 1.00 25.75 C ATOM 0 H VAL A 11 53.455 99.429 73.678 1.00 26.88 H new ATOM 0 HA VAL A 11 50.542 100.243 73.440 1.00 26.83 H new ATOM 0 HB VAL A 11 53.049 101.677 74.478 1.00 26.28 H new ATOM 0 HG11 VAL A 11 51.446 103.434 75.191 1.00 26.50 H new ATOM 0 HG12 VAL A 11 51.390 103.193 73.428 1.00 26.50 H new ATOM 0 HG13 VAL A 11 50.111 102.510 74.461 1.00 26.50 H new ATOM 0 HG21 VAL A 11 51.949 101.518 76.701 1.00 25.75 H new ATOM 0 HG22 VAL A 11 50.617 100.589 75.973 1.00 25.75 H new ATOM 0 HG23 VAL A 11 52.257 99.902 76.023 1.00 25.75 H new ATOM 117 N GLU A 12 50.929 101.457 71.312 1.00 0.00 N ATOM 118 CA GLU A 12 51.174 102.044 69.959 1.00 0.00 C ATOM 119 C GLU A 12 50.545 103.439 69.881 1.00 0.00 C ATOM 120 O GLU A 12 49.438 103.656 70.336 1.00 0.00 O ATOM 121 CB GLU A 12 50.488 101.089 68.983 1.00 0.00 C ATOM 122 CG GLU A 12 50.722 101.568 67.546 1.00 0.00 C ATOM 123 CD GLU A 12 50.039 100.617 66.556 1.00 0.00 C ATOM 124 OE1 GLU A 12 49.783 99.480 66.925 1.00 0.00 O ATOM 125 OE2 GLU A 12 49.780 101.043 65.443 1.00 0.00 O ATOM 0 H GLU A 12 49.948 101.400 71.586 1.00 0.00 H new ATOM 0 HA GLU A 12 52.235 102.155 69.736 1.00 0.00 H new ATOM 0 HB2 GLU A 12 50.880 100.080 69.109 1.00 0.00 H new ATOM 0 HB3 GLU A 12 49.419 101.044 69.193 1.00 0.00 H new ATOM 0 HG2 GLU A 12 50.330 102.577 67.422 1.00 0.00 H new ATOM 0 HG3 GLU A 12 51.791 101.614 67.339 1.00 0.00 H new ATOM 132 N VAL A 13 51.252 104.384 69.317 1.00 26.55 N ATOM 133 CA VAL A 13 50.713 105.777 69.215 1.00 26.45 C ATOM 134 C VAL A 13 50.821 106.295 67.778 1.00 27.95 C ATOM 135 O VAL A 13 51.817 106.104 67.107 1.00 27.94 O ATOM 136 CB VAL A 13 51.584 106.611 70.161 1.00 25.67 C ATOM 137 CG1 VAL A 13 51.114 108.067 70.148 1.00 24.91 C ATOM 138 CG2 VAL A 13 51.474 106.057 71.585 1.00 26.97 C ATOM 0 H VAL A 13 52.183 104.252 68.921 1.00 26.55 H new ATOM 0 HA VAL A 13 49.658 105.828 69.482 1.00 26.45 H new ATOM 0 HB VAL A 13 52.621 106.561 69.828 1.00 25.67 H new ATOM 0 HG11 VAL A 13 51.736 108.656 70.822 1.00 24.91 H new ATOM 0 HG12 VAL A 13 51.195 108.466 69.137 1.00 24.91 H new ATOM 0 HG13 VAL A 13 50.076 108.117 70.476 1.00 24.91 H new ATOM 0 HG21 VAL A 13 52.094 106.652 72.256 1.00 26.97 H new ATOM 0 HG22 VAL A 13 50.436 106.103 71.914 1.00 26.97 H new ATOM 0 HG23 VAL A 13 51.814 105.021 71.600 1.00 26.97 H new ATOM 148 N SER A 14 49.787 106.958 67.309 1.00 0.00 N ATOM 149 CA SER A 14 49.806 107.503 65.918 1.00 0.00 C ATOM 150 C SER A 14 49.484 109.010 65.926 1.00 0.00 C ATOM 151 O SER A 14 48.345 109.395 66.118 1.00 0.00 O ATOM 152 CB SER A 14 48.724 106.725 65.171 1.00 0.00 C ATOM 153 OG SER A 14 48.660 107.184 63.827 1.00 0.00 O ATOM 0 H SER A 14 48.932 107.143 67.833 1.00 0.00 H new ATOM 0 HA SER A 14 50.783 107.394 65.448 1.00 0.00 H new ATOM 0 HB2 SER A 14 48.946 105.658 65.193 1.00 0.00 H new ATOM 0 HB3 SER A 14 47.759 106.860 65.660 1.00 0.00 H new ATOM 0 HG SER A 14 47.968 106.686 63.344 1.00 0.00 H new ATOM 159 N PRO A 15 50.502 109.814 65.719 1.00 28.75 N ATOM 160 CA PRO A 15 50.275 111.291 65.708 1.00 30.20 C ATOM 161 C PRO A 15 49.794 111.769 64.332 1.00 33.00 C ATOM 162 O PRO A 15 49.855 111.056 63.351 1.00 32.76 O ATOM 163 CB PRO A 15 51.645 111.882 66.019 1.00 29.34 C ATOM 164 CG PRO A 15 52.617 110.845 65.577 1.00 29.59 C ATOM 165 CD PRO A 15 51.945 109.511 65.755 1.00 28.91 C ATOM 0 HA PRO A 15 49.508 111.592 66.421 1.00 30.20 H new ATOM 0 HB2 PRO A 15 51.800 112.821 65.488 1.00 29.34 H new ATOM 0 HB3 PRO A 15 51.751 112.096 67.083 1.00 29.34 H new ATOM 0 HG2 PRO A 15 52.899 110.999 64.535 1.00 29.59 H new ATOM 0 HG3 PRO A 15 53.532 110.898 66.166 1.00 29.59 H new ATOM 0 HD2 PRO A 15 52.224 108.817 64.962 1.00 28.91 H new ATOM 0 HD3 PRO A 15 52.229 109.047 66.699 1.00 28.91 H new ATOM 173 N ARG A 16 49.312 112.986 64.275 1.00 34.77 N ATOM 174 CA ARG A 16 48.811 113.560 62.988 1.00 37.64 C ATOM 175 C ARG A 16 48.833 115.094 63.061 1.00 38.99 C ATOM 176 O ARG A 16 48.360 115.692 64.010 1.00 38.96 O ATOM 177 CB ARG A 16 47.378 113.038 62.834 1.00 40.22 C ATOM 178 CG ARG A 16 46.529 113.466 64.036 1.00 43.41 C ATOM 179 CD ARG A 16 45.180 112.746 63.991 1.00 47.90 C ATOM 180 NE ARG A 16 44.416 113.292 65.147 1.00 51.85 N ATOM 181 CZ ARG A 16 43.214 113.769 64.967 1.00 53.88 C ATOM 182 NH1 ARG A 16 43.026 114.775 64.157 1.00 53.27 N ATOM 183 NH2 ARG A 16 42.201 113.240 65.597 1.00 54.10 N ATOM 0 H ARG A 16 49.244 113.614 65.076 1.00 34.77 H new ATOM 0 HA ARG A 16 49.428 113.271 62.137 1.00 37.64 H new ATOM 0 HB2 ARG A 16 46.939 113.423 61.914 1.00 40.22 H new ATOM 0 HB3 ARG A 16 47.385 111.951 62.753 1.00 40.22 H new ATOM 0 HG2 ARG A 16 47.049 113.229 64.964 1.00 43.41 H new ATOM 0 HG3 ARG A 16 46.378 114.545 64.022 1.00 43.41 H new ATOM 0 HD2 ARG A 16 44.662 112.935 63.051 1.00 47.90 H new ATOM 0 HD3 ARG A 16 45.305 111.666 64.075 1.00 47.90 H new ATOM 0 HE ARG A 16 44.831 113.293 66.079 1.00 51.85 H new ATOM 0 HH11 ARG A 16 43.818 115.188 63.665 1.00 53.27 H new ATOM 0 HH12 ARG A 16 42.087 115.148 64.016 1.00 53.27 H new ATOM 0 HH21 ARG A 16 42.348 112.454 66.230 1.00 54.10 H new ATOM 0 HH22 ARG A 16 41.262 113.613 65.456 1.00 54.10 H new ATOM 197 N PHE A 17 49.401 115.722 62.065 1.00 0.00 N ATOM 198 CA PHE A 17 49.494 117.219 62.049 1.00 0.00 C ATOM 199 C PHE A 17 48.103 117.867 62.077 1.00 0.00 C ATOM 200 O PHE A 17 47.182 117.413 61.424 1.00 0.00 O ATOM 201 CB PHE A 17 50.207 117.554 60.735 1.00 0.00 C ATOM 202 CG PHE A 17 50.447 119.042 60.649 1.00 0.00 C ATOM 203 CD1 PHE A 17 51.477 119.629 61.394 1.00 0.00 C ATOM 204 CD2 PHE A 17 49.641 119.837 59.824 1.00 0.00 C ATOM 205 CE1 PHE A 17 51.701 121.008 61.315 1.00 0.00 C ATOM 206 CE2 PHE A 17 49.866 121.216 59.744 1.00 0.00 C ATOM 207 CZ PHE A 17 50.895 121.802 60.491 1.00 0.00 C ATOM 0 H PHE A 17 49.809 115.260 61.252 1.00 0.00 H new ATOM 0 HA PHE A 17 50.025 117.596 62.923 1.00 0.00 H new ATOM 0 HB2 PHE A 17 51.155 117.019 60.679 1.00 0.00 H new ATOM 0 HB3 PHE A 17 49.604 117.224 59.889 1.00 0.00 H new ATOM 0 HD1 PHE A 17 52.099 119.017 62.030 1.00 0.00 H new ATOM 0 HD2 PHE A 17 48.846 119.386 59.249 1.00 0.00 H new ATOM 0 HE1 PHE A 17 52.496 121.460 61.890 1.00 0.00 H new ATOM 0 HE2 PHE A 17 49.246 121.828 59.106 1.00 0.00 H new ATOM 0 HZ PHE A 17 51.067 122.867 60.431 1.00 0.00 H new ATOM 217 N LEU A 18 47.955 118.937 62.820 1.00 0.00 N ATOM 218 CA LEU A 18 46.637 119.640 62.890 1.00 0.00 C ATOM 219 C LEU A 18 46.756 121.060 62.323 1.00 0.00 C ATOM 220 O LEU A 18 46.867 122.031 63.043 1.00 0.00 O ATOM 221 CB LEU A 18 46.260 119.680 64.372 1.00 0.00 C ATOM 222 CG LEU A 18 45.953 118.265 64.865 1.00 0.00 C ATOM 223 CD1 LEU A 18 45.707 118.293 66.376 1.00 0.00 C ATOM 224 CD2 LEU A 18 44.702 117.738 64.155 1.00 0.00 C ATOM 0 H LEU A 18 48.695 119.355 63.384 1.00 0.00 H new ATOM 0 HA LEU A 18 45.877 119.126 62.301 1.00 0.00 H new ATOM 0 HB2 LEU A 18 47.076 120.109 64.953 1.00 0.00 H new ATOM 0 HB3 LEU A 18 45.392 120.323 64.519 1.00 0.00 H new ATOM 0 HG LEU A 18 46.798 117.613 64.646 1.00 0.00 H new ATOM 0 HD11 LEU A 18 45.488 117.285 66.728 1.00 0.00 H new ATOM 0 HD12 LEU A 18 46.596 118.669 66.882 1.00 0.00 H new ATOM 0 HD13 LEU A 18 44.862 118.945 66.595 1.00 0.00 H new ATOM 0 HD21 LEU A 18 44.482 116.730 64.506 1.00 0.00 H new ATOM 0 HD22 LEU A 18 43.857 118.391 64.374 1.00 0.00 H new ATOM 0 HD23 LEU A 18 44.875 117.718 63.079 1.00 0.00 H new ATOM 236 N ALA A 19 46.702 121.165 61.024 1.00 0.00 N ATOM 237 CA ALA A 19 46.777 122.498 60.342 1.00 0.00 C ATOM 238 C ALA A 19 45.543 123.347 60.661 1.00 0.00 C ATOM 239 O ALA A 19 45.631 124.554 60.785 1.00 0.00 O ATOM 240 CB ALA A 19 46.785 122.162 58.848 1.00 0.00 C ATOM 0 H ALA A 19 46.607 120.371 60.391 1.00 0.00 H new ATOM 0 HA ALA A 19 47.650 123.067 60.663 1.00 0.00 H new ATOM 0 HB1 ALA A 19 46.839 123.083 58.268 1.00 0.00 H new ATOM 0 HB2 ALA A 19 47.650 121.539 58.620 1.00 0.00 H new ATOM 0 HB3 ALA A 19 45.872 121.624 58.591 1.00 0.00 H new ATOM 246 N HIS A 20 44.394 122.733 60.775 1.00 0.00 N ATOM 247 CA HIS A 20 43.150 123.514 61.065 1.00 0.00 C ATOM 248 C HIS A 20 43.164 124.064 62.495 1.00 0.00 C ATOM 249 O HIS A 20 42.480 125.025 62.798 1.00 0.00 O ATOM 250 CB HIS A 20 41.998 122.527 60.878 1.00 0.00 C ATOM 251 CG HIS A 20 40.691 123.271 60.897 1.00 0.00 C ATOM 252 ND1 HIS A 20 40.345 124.181 59.913 1.00 0.00 N ATOM 253 CD2 HIS A 20 39.637 123.251 61.777 1.00 0.00 C ATOM 254 CE1 HIS A 20 39.128 124.668 60.219 1.00 0.00 C ATOM 255 NE2 HIS A 20 38.651 124.134 61.346 1.00 0.00 N ATOM 0 H HIS A 20 44.261 121.726 60.680 1.00 0.00 H new ATOM 0 HA HIS A 20 43.058 124.377 60.406 1.00 0.00 H new ATOM 0 HB2 HIS A 20 42.111 121.994 59.934 1.00 0.00 H new ATOM 0 HB3 HIS A 20 42.014 121.779 61.670 1.00 0.00 H new ATOM 0 HD2 HIS A 20 39.582 122.643 62.668 1.00 0.00 H new ATOM 0 HE1 HIS A 20 38.602 125.401 59.626 1.00 0.00 H new ATOM 0 HE2 HIS A 20 37.756 124.331 61.795 1.00 0.00 H new ATOM 263 N GLN A 21 43.919 123.462 63.380 1.00 51.13 N ATOM 264 CA GLN A 21 43.954 123.953 64.792 1.00 51.59 C ATOM 265 C GLN A 21 45.376 124.345 65.209 1.00 51.55 C ATOM 266 O GLN A 21 45.779 124.107 66.333 1.00 51.24 O ATOM 267 CB GLN A 21 43.463 122.771 65.628 1.00 52.27 C ATOM 268 CG GLN A 21 41.970 122.551 65.374 1.00 52.27 C ATOM 269 CD GLN A 21 41.489 121.339 66.174 1.00 52.27 C ATOM 270 OE1 GLN A 21 42.262 120.454 66.483 1.00 52.37 O ATOM 271 NE2 GLN A 21 40.234 121.262 66.527 1.00 51.79 N ATOM 0 H GLN A 21 44.511 122.654 63.187 1.00 51.13 H new ATOM 0 HA GLN A 21 43.340 124.844 64.924 1.00 51.59 H new ATOM 0 HB2 GLN A 21 44.023 121.872 65.370 1.00 52.27 H new ATOM 0 HB3 GLN A 21 43.638 122.963 66.687 1.00 52.27 H new ATOM 0 HG2 GLN A 21 41.407 123.438 65.664 1.00 52.27 H new ATOM 0 HG3 GLN A 21 41.791 122.393 64.311 1.00 52.27 H new ATOM 0 HE21 GLN A 21 39.585 122.005 66.268 1.00 51.79 H new ATOM 0 HE22 GLN A 21 39.903 120.459 67.062 1.00 51.79 H new ATOM 280 N SER A 22 46.138 124.945 64.325 1.00 52.26 N ATOM 281 CA SER A 22 47.531 125.346 64.696 1.00 52.76 C ATOM 282 C SER A 22 48.065 126.428 63.752 1.00 51.68 C ATOM 283 O SER A 22 47.759 126.445 62.575 1.00 52.15 O ATOM 284 CB SER A 22 48.360 124.071 64.563 1.00 53.63 C ATOM 285 OG SER A 22 48.598 123.806 63.186 1.00 55.19 O ATOM 0 H SER A 22 45.858 125.172 63.371 1.00 52.26 H new ATOM 0 HA SER A 22 47.573 125.765 65.701 1.00 52.76 H new ATOM 0 HB2 SER A 22 49.306 124.182 65.093 1.00 53.63 H new ATOM 0 HB3 SER A 22 47.835 123.233 65.021 1.00 53.63 H new ATOM 0 HG SER A 22 47.808 123.379 62.794 1.00 55.19 H new ATOM 291 N THR A 23 48.877 127.320 64.261 1.00 0.00 N ATOM 292 CA THR A 23 49.460 128.395 63.404 1.00 0.00 C ATOM 293 C THR A 23 50.988 128.244 63.381 1.00 0.00 C ATOM 294 O THR A 23 51.671 128.763 64.244 1.00 0.00 O ATOM 295 CB THR A 23 49.057 129.708 64.080 1.00 0.00 C ATOM 296 OG1 THR A 23 47.641 129.772 64.177 1.00 0.00 O ATOM 297 CG2 THR A 23 49.568 130.889 63.254 1.00 0.00 C ATOM 0 H THR A 23 49.162 127.349 65.240 1.00 0.00 H new ATOM 0 HA THR A 23 49.108 128.354 62.373 1.00 0.00 H new ATOM 0 HB THR A 23 49.493 129.752 65.078 1.00 0.00 H new ATOM 0 HG1 THR A 23 47.380 130.611 64.611 1.00 0.00 H new ATOM 0 HG21 THR A 23 49.280 131.823 63.737 1.00 0.00 H new ATOM 0 HG22 THR A 23 50.654 130.839 63.180 1.00 0.00 H new ATOM 0 HG23 THR A 23 49.134 130.849 62.255 1.00 0.00 H new ATOM 305 N PRO A 24 51.473 127.515 62.402 1.00 49.88 N ATOM 306 CA PRO A 24 52.948 127.300 62.330 1.00 51.02 C ATOM 307 C PRO A 24 53.689 128.607 62.022 1.00 51.50 C ATOM 308 O PRO A 24 54.851 128.757 62.350 1.00 51.57 O ATOM 309 CB PRO A 24 53.122 126.309 61.184 1.00 51.23 C ATOM 310 CG PRO A 24 51.921 126.503 60.323 1.00 51.05 C ATOM 311 CD PRO A 24 50.799 126.918 61.233 1.00 49.44 C ATOM 0 HA PRO A 24 53.356 126.938 63.274 1.00 51.02 H new ATOM 0 HB2 PRO A 24 54.041 126.503 60.630 1.00 51.23 H new ATOM 0 HB3 PRO A 24 53.182 125.285 61.553 1.00 51.23 H new ATOM 0 HG2 PRO A 24 52.107 127.265 59.566 1.00 51.05 H new ATOM 0 HG3 PRO A 24 51.671 125.583 59.795 1.00 51.05 H new ATOM 0 HD2 PRO A 24 50.138 127.636 60.747 1.00 49.44 H new ATOM 0 HD3 PRO A 24 50.186 126.064 61.522 1.00 49.44 H new ATOM 319 N ASP A 25 53.031 129.542 61.386 1.00 0.00 N ATOM 320 CA ASP A 25 53.705 130.834 61.043 1.00 0.00 C ATOM 321 C ASP A 25 54.047 131.625 62.312 1.00 0.00 C ATOM 322 O ASP A 25 54.942 132.449 62.310 1.00 0.00 O ATOM 323 CB ASP A 25 52.706 131.601 60.174 1.00 0.00 C ATOM 324 CG ASP A 25 53.420 132.756 59.468 1.00 0.00 C ATOM 325 OD1 ASP A 25 54.332 133.313 60.056 1.00 0.00 O ATOM 326 OD2 ASP A 25 53.040 133.065 58.350 1.00 0.00 O ATOM 0 H ASP A 25 52.058 129.469 61.089 1.00 0.00 H new ATOM 0 HA ASP A 25 54.647 130.669 60.520 1.00 0.00 H new ATOM 0 HB2 ASP A 25 52.260 130.932 59.438 1.00 0.00 H new ATOM 0 HB3 ASP A 25 51.893 131.985 60.790 1.00 0.00 H new ATOM 331 N GLU A 26 53.345 131.384 63.392 1.00 0.00 N ATOM 332 CA GLU A 26 53.636 132.130 64.655 1.00 0.00 C ATOM 333 C GLU A 26 54.336 131.218 65.671 1.00 0.00 C ATOM 334 O GLU A 26 54.270 131.444 66.864 1.00 0.00 O ATOM 335 CB GLU A 26 52.267 132.564 65.181 1.00 0.00 C ATOM 336 CG GLU A 26 51.688 133.648 64.267 1.00 0.00 C ATOM 337 CD GLU A 26 50.313 134.095 64.783 1.00 0.00 C ATOM 338 OE1 GLU A 26 49.707 133.351 65.539 1.00 0.00 O ATOM 339 OE2 GLU A 26 49.890 135.177 64.412 1.00 0.00 O ATOM 0 H GLU A 26 52.586 130.706 63.454 1.00 0.00 H new ATOM 0 HA GLU A 26 54.300 132.978 64.486 1.00 0.00 H new ATOM 0 HB2 GLU A 26 51.593 131.708 65.220 1.00 0.00 H new ATOM 0 HB3 GLU A 26 52.360 132.943 66.199 1.00 0.00 H new ATOM 0 HG2 GLU A 26 52.365 134.501 64.228 1.00 0.00 H new ATOM 0 HG3 GLU A 26 51.597 133.266 63.250 1.00 0.00 H new ATOM 346 N GLY A 27 55.002 130.191 65.205 1.00 0.00 N ATOM 347 CA GLY A 27 55.705 129.260 66.138 1.00 0.00 C ATOM 348 C GLY A 27 54.673 128.475 66.949 1.00 0.00 C ATOM 349 O GLY A 27 54.913 128.098 68.081 1.00 0.00 O ATOM 0 H GLY A 27 55.089 129.957 64.216 1.00 0.00 H new ATOM 0 HA2 GLY A 27 56.339 128.575 65.576 1.00 0.00 H new ATOM 0 HA3 GLY A 27 56.357 129.822 66.806 1.00 0.00 H new ATOM 353 N ARG A 28 53.524 128.228 66.373 1.00 0.00 N ATOM 354 CA ARG A 28 52.462 127.468 67.096 1.00 0.00 C ATOM 355 C ARG A 28 52.112 126.192 66.327 1.00 0.00 C ATOM 356 O ARG A 28 51.256 126.196 65.462 1.00 0.00 O ATOM 357 CB ARG A 28 51.261 128.413 67.146 1.00 0.00 C ATOM 358 CG ARG A 28 50.411 128.091 68.377 1.00 0.00 C ATOM 359 CD ARG A 28 49.356 129.181 68.570 1.00 0.00 C ATOM 360 NE ARG A 28 48.173 128.714 67.795 1.00 0.00 N ATOM 361 CZ ARG A 28 47.087 128.349 68.420 1.00 0.00 C ATOM 362 NH1 ARG A 28 46.993 127.147 68.917 1.00 0.00 N ATOM 363 NH2 ARG A 28 46.095 129.188 68.547 1.00 0.00 N ATOM 0 H ARG A 28 53.276 128.522 65.428 1.00 0.00 H new ATOM 0 HA ARG A 28 52.778 127.161 68.093 1.00 0.00 H new ATOM 0 HB2 ARG A 28 51.600 129.448 67.185 1.00 0.00 H new ATOM 0 HB3 ARG A 28 50.664 128.308 66.240 1.00 0.00 H new ATOM 0 HG2 ARG A 28 49.929 127.121 68.255 1.00 0.00 H new ATOM 0 HG3 ARG A 28 51.044 128.023 69.261 1.00 0.00 H new ATOM 0 HD2 ARG A 28 49.111 129.311 69.624 1.00 0.00 H new ATOM 0 HD3 ARG A 28 49.712 130.144 68.204 1.00 0.00 H new ATOM 0 HE ARG A 28 48.212 128.679 66.776 1.00 0.00 H new ATOM 0 HH11 ARG A 28 47.768 126.492 68.817 1.00 0.00 H new ATOM 0 HH12 ARG A 28 46.144 126.862 69.405 1.00 0.00 H new ATOM 0 HH21 ARG A 28 46.169 130.128 68.158 1.00 0.00 H new ATOM 0 HH22 ARG A 28 45.246 128.904 69.035 1.00 0.00 H new ATOM 377 N TYR A 29 52.757 125.097 66.646 1.00 46.07 N ATOM 378 CA TYR A 29 52.452 123.813 65.945 1.00 43.41 C ATOM 379 C TYR A 29 51.637 122.911 66.874 1.00 41.37 C ATOM 380 O TYR A 29 51.980 122.731 68.029 1.00 39.95 O ATOM 381 CB TYR A 29 53.811 123.179 65.634 1.00 43.56 C ATOM 382 CG TYR A 29 54.637 124.117 64.783 1.00 42.53 C ATOM 383 CD1 TYR A 29 55.438 125.091 65.391 1.00 41.55 C ATOM 384 CD2 TYR A 29 54.604 124.010 63.387 1.00 44.01 C ATOM 385 CE1 TYR A 29 56.205 125.958 64.605 1.00 42.67 C ATOM 386 CE2 TYR A 29 55.371 124.878 62.601 1.00 42.98 C ATOM 387 CZ TYR A 29 56.172 125.853 63.210 1.00 43.35 C ATOM 388 OH TYR A 29 56.928 126.707 62.434 1.00 43.13 O ATOM 0 H TYR A 29 53.481 125.038 67.362 1.00 46.07 H new ATOM 0 HA TYR A 29 51.870 123.963 65.036 1.00 43.41 H new ATOM 0 HB2 TYR A 29 54.339 122.957 66.562 1.00 43.56 H new ATOM 0 HB3 TYR A 29 53.669 122.232 65.113 1.00 43.56 H new ATOM 0 HD1 TYR A 29 55.464 125.173 66.468 1.00 41.55 H new ATOM 0 HD2 TYR A 29 53.987 123.258 62.917 1.00 44.01 H new ATOM 0 HE1 TYR A 29 56.823 126.709 65.075 1.00 42.67 H new ATOM 0 HE2 TYR A 29 55.345 124.796 61.524 1.00 42.98 H new ATOM 0 HH TYR A 29 56.412 127.517 62.241 1.00 43.13 H new ATOM 398 N ALA A 30 50.551 122.359 66.390 1.00 0.00 N ATOM 399 CA ALA A 30 49.710 121.488 67.266 1.00 0.00 C ATOM 400 C ALA A 30 49.636 120.059 66.724 1.00 0.00 C ATOM 401 O ALA A 30 49.179 119.826 65.622 1.00 0.00 O ATOM 402 CB ALA A 30 48.326 122.137 67.262 1.00 0.00 C ATOM 0 H ALA A 30 50.213 122.473 65.434 1.00 0.00 H new ATOM 0 HA ALA A 30 50.126 121.410 68.270 1.00 0.00 H new ATOM 0 HB1 ALA A 30 47.649 121.553 67.886 1.00 0.00 H new ATOM 0 HB2 ALA A 30 48.398 123.151 67.655 1.00 0.00 H new ATOM 0 HB3 ALA A 30 47.943 122.170 66.242 1.00 0.00 H new ATOM 408 N PHE A 31 50.068 119.098 67.502 1.00 36.58 N ATOM 409 CA PHE A 31 50.007 117.676 67.053 1.00 36.29 C ATOM 410 C PHE A 31 49.070 116.883 67.967 1.00 35.25 C ATOM 411 O PHE A 31 49.147 116.983 69.177 1.00 34.09 O ATOM 412 CB PHE A 31 51.434 117.139 67.179 1.00 36.39 C ATOM 413 CG PHE A 31 52.294 117.686 66.066 1.00 38.07 C ATOM 414 CD1 PHE A 31 52.921 118.929 66.209 1.00 38.88 C ATOM 415 CD2 PHE A 31 52.469 116.945 64.892 1.00 37.33 C ATOM 416 CE1 PHE A 31 53.723 119.430 65.176 1.00 37.40 C ATOM 417 CE2 PHE A 31 53.269 117.447 63.858 1.00 37.25 C ATOM 418 CZ PHE A 31 53.896 118.690 64.002 1.00 36.45 C ATOM 0 H PHE A 31 50.462 119.239 68.432 1.00 36.58 H new ATOM 0 HA PHE A 31 49.631 117.589 66.034 1.00 36.29 H new ATOM 0 HB2 PHE A 31 51.853 117.421 68.145 1.00 36.39 H new ATOM 0 HB3 PHE A 31 51.426 116.050 67.141 1.00 36.39 H new ATOM 0 HD1 PHE A 31 52.787 119.501 67.115 1.00 38.88 H new ATOM 0 HD2 PHE A 31 51.987 115.985 64.783 1.00 37.33 H new ATOM 0 HE1 PHE A 31 54.208 120.389 65.286 1.00 37.40 H new ATOM 0 HE2 PHE A 31 53.402 116.876 62.951 1.00 37.25 H new ATOM 0 HZ PHE A 31 54.514 119.078 63.206 1.00 36.45 H new ATOM 428 N ALA A 32 48.205 116.078 67.405 1.00 34.06 N ATOM 429 CA ALA A 32 47.282 115.253 68.240 1.00 32.35 C ATOM 430 C ALA A 32 47.690 113.787 68.104 1.00 31.25 C ATOM 431 O ALA A 32 47.903 113.307 67.007 1.00 31.96 O ATOM 432 CB ALA A 32 45.891 115.480 67.648 1.00 32.65 C ATOM 0 H ALA A 32 48.098 115.956 66.398 1.00 34.06 H new ATOM 0 HA ALA A 32 47.307 115.517 69.297 1.00 32.35 H new ATOM 0 HB1 ALA A 32 45.157 114.904 68.212 1.00 32.65 H new ATOM 0 HB2 ALA A 32 45.641 116.539 67.703 1.00 32.65 H new ATOM 0 HB3 ALA A 32 45.882 115.159 66.606 1.00 32.65 H new ATOM 438 N TYR A 33 47.825 113.076 69.197 1.00 29.03 N ATOM 439 CA TYR A 33 48.249 111.645 69.087 1.00 27.15 C ATOM 440 C TYR A 33 47.292 110.715 69.839 1.00 26.72 C ATOM 441 O TYR A 33 46.777 111.053 70.887 1.00 28.24 O ATOM 442 CB TYR A 33 49.676 111.595 69.665 1.00 26.09 C ATOM 443 CG TYR A 33 49.682 111.816 71.163 1.00 26.79 C ATOM 444 CD1 TYR A 33 49.506 113.100 71.692 1.00 24.81 C ATOM 445 CD2 TYR A 33 49.883 110.730 72.023 1.00 25.37 C ATOM 446 CE1 TYR A 33 49.528 113.294 73.078 1.00 25.46 C ATOM 447 CE2 TYR A 33 49.910 110.925 73.407 1.00 25.85 C ATOM 448 CZ TYR A 33 49.733 112.206 73.935 1.00 27.60 C ATOM 449 OH TYR A 33 49.764 112.396 75.302 1.00 28.81 O ATOM 0 H TYR A 33 47.663 113.417 70.145 1.00 29.03 H new ATOM 0 HA TYR A 33 48.229 111.297 68.054 1.00 27.15 H new ATOM 0 HB2 TYR A 33 50.127 110.629 69.438 1.00 26.09 H new ATOM 0 HB3 TYR A 33 50.291 112.355 69.183 1.00 26.09 H new ATOM 0 HD1 TYR A 33 49.353 113.940 71.031 1.00 24.81 H new ATOM 0 HD2 TYR A 33 50.018 109.739 71.616 1.00 25.37 H new ATOM 0 HE1 TYR A 33 49.387 114.284 73.487 1.00 25.46 H new ATOM 0 HE2 TYR A 33 50.068 110.085 74.068 1.00 25.85 H new ATOM 0 HH TYR A 33 48.848 112.448 75.646 1.00 28.81 H new ATOM 459 N SER A 34 47.059 109.545 69.301 1.00 0.00 N ATOM 460 CA SER A 34 46.143 108.575 69.968 1.00 0.00 C ATOM 461 C SER A 34 46.967 107.486 70.657 1.00 0.00 C ATOM 462 O SER A 34 47.960 107.026 70.133 1.00 0.00 O ATOM 463 CB SER A 34 45.299 107.982 68.842 1.00 0.00 C ATOM 464 OG SER A 34 44.426 108.983 68.333 1.00 0.00 O ATOM 0 H SER A 34 47.466 109.220 68.424 1.00 0.00 H new ATOM 0 HA SER A 34 45.520 109.042 70.730 1.00 0.00 H new ATOM 0 HB2 SER A 34 45.944 107.607 68.047 1.00 0.00 H new ATOM 0 HB3 SER A 34 44.723 107.134 69.212 1.00 0.00 H new ATOM 0 HG SER A 34 43.884 108.607 67.609 1.00 0.00 H new ATOM 470 N ILE A 35 46.568 107.092 71.837 1.00 0.00 N ATOM 471 CA ILE A 35 47.328 106.050 72.592 1.00 0.00 C ATOM 472 C ILE A 35 46.585 104.708 72.600 1.00 0.00 C ATOM 473 O ILE A 35 45.398 104.639 72.845 1.00 0.00 O ATOM 474 CB ILE A 35 47.410 106.621 74.017 1.00 0.00 C ATOM 475 CG1 ILE A 35 48.239 107.917 73.998 1.00 0.00 C ATOM 476 CG2 ILE A 35 48.067 105.608 74.968 1.00 0.00 C ATOM 477 CD1 ILE A 35 49.667 107.631 73.509 1.00 0.00 C ATOM 0 H ILE A 35 45.741 107.450 72.315 1.00 0.00 H new ATOM 0 HA ILE A 35 48.303 105.849 72.149 1.00 0.00 H new ATOM 0 HB ILE A 35 46.400 106.829 74.371 1.00 0.00 H new ATOM 0 HG12 ILE A 35 47.764 108.650 73.346 1.00 0.00 H new ATOM 0 HG13 ILE A 35 48.270 108.351 74.997 1.00 0.00 H new ATOM 0 HG21 ILE A 35 48.116 106.030 75.972 1.00 0.00 H new ATOM 0 HG22 ILE A 35 47.477 104.692 74.988 1.00 0.00 H new ATOM 0 HG23 ILE A 35 49.075 105.382 74.620 1.00 0.00 H new ATOM 0 HD11 ILE A 35 50.241 108.557 73.501 1.00 0.00 H new ATOM 0 HD12 ILE A 35 50.144 106.914 74.178 1.00 0.00 H new ATOM 0 HD13 ILE A 35 49.631 107.218 72.501 1.00 0.00 H new ATOM 489 N ARG A 36 47.303 103.649 72.329 1.00 25.30 N ATOM 490 CA ARG A 36 46.686 102.291 72.311 1.00 25.64 C ATOM 491 C ARG A 36 47.423 101.375 73.291 1.00 23.79 C ATOM 492 O ARG A 36 48.471 100.837 72.990 1.00 25.11 O ATOM 493 CB ARG A 36 46.860 101.794 70.876 1.00 28.66 C ATOM 494 CG ARG A 36 46.113 100.472 70.698 1.00 34.24 C ATOM 495 CD ARG A 36 46.303 99.964 69.266 1.00 37.45 C ATOM 496 NE ARG A 36 45.481 100.876 68.422 1.00 40.12 N ATOM 497 CZ ARG A 36 44.783 100.393 67.430 1.00 40.24 C ATOM 498 NH1 ARG A 36 45.388 99.845 66.413 1.00 39.81 N ATOM 499 NH2 ARG A 36 43.480 100.459 67.456 1.00 39.07 N ATOM 0 H ARG A 36 48.301 103.668 72.117 1.00 25.30 H new ATOM 0 HA ARG A 36 45.638 102.305 72.609 1.00 25.64 H new ATOM 0 HB2 ARG A 36 46.479 102.536 70.175 1.00 28.66 H new ATOM 0 HB3 ARG A 36 47.918 101.658 70.653 1.00 28.66 H new ATOM 0 HG2 ARG A 36 46.485 99.734 71.409 1.00 34.24 H new ATOM 0 HG3 ARG A 36 45.052 100.611 70.908 1.00 34.24 H new ATOM 0 HD2 ARG A 36 47.352 99.993 68.973 1.00 37.45 H new ATOM 0 HD3 ARG A 36 45.973 98.930 69.167 1.00 37.45 H new ATOM 0 HE ARG A 36 45.464 101.877 68.619 1.00 40.12 H new ATOM 0 HH11 ARG A 36 46.407 99.794 66.393 1.00 39.81 H new ATOM 0 HH12 ARG A 36 44.843 99.468 65.638 1.00 39.81 H new ATOM 0 HH21 ARG A 36 43.007 100.888 68.251 1.00 39.07 H new ATOM 0 HH22 ARG A 36 42.935 100.082 66.681 1.00 39.07 H new ATOM 513 N ILE A 37 46.877 101.204 74.466 1.00 20.73 N ATOM 514 CA ILE A 37 47.524 100.332 75.494 1.00 18.17 C ATOM 515 C ILE A 37 47.022 98.890 75.364 1.00 17.71 C ATOM 516 O ILE A 37 45.860 98.611 75.574 1.00 15.34 O ATOM 517 CB ILE A 37 47.095 100.930 76.842 1.00 15.47 C ATOM 518 CG1 ILE A 37 47.569 102.384 76.934 1.00 14.77 C ATOM 519 CG2 ILE A 37 47.719 100.128 77.990 1.00 14.36 C ATOM 520 CD1 ILE A 37 46.914 103.060 78.140 1.00 16.07 C ATOM 0 H ILE A 37 46.001 101.635 74.762 1.00 20.73 H new ATOM 0 HA ILE A 37 48.608 100.299 75.384 1.00 18.17 H new ATOM 0 HB ILE A 37 46.008 100.890 76.917 1.00 15.47 H new ATOM 0 HG12 ILE A 37 48.654 102.418 77.030 1.00 14.77 H new ATOM 0 HG13 ILE A 37 47.313 102.920 76.020 1.00 14.77 H new ATOM 0 HG21 ILE A 37 47.411 100.557 78.943 1.00 14.36 H new ATOM 0 HG22 ILE A 37 47.385 99.092 77.934 1.00 14.36 H new ATOM 0 HG23 ILE A 37 48.805 100.164 77.910 1.00 14.36 H new ATOM 0 HD11 ILE A 37 47.252 104.094 78.205 1.00 16.07 H new ATOM 0 HD12 ILE A 37 45.830 103.038 78.025 1.00 16.07 H new ATOM 0 HD13 ILE A 37 47.193 102.529 79.050 1.00 16.07 H new ATOM 532 N GLN A 38 47.898 97.973 75.038 1.00 0.00 N ATOM 533 CA GLN A 38 47.487 96.541 74.917 1.00 0.00 C ATOM 534 C GLN A 38 48.249 95.701 75.946 1.00 0.00 C ATOM 535 O GLN A 38 49.443 95.852 76.125 1.00 0.00 O ATOM 536 CB GLN A 38 47.851 96.130 73.488 1.00 0.00 C ATOM 537 CG GLN A 38 47.439 94.674 73.253 1.00 0.00 C ATOM 538 CD GLN A 38 47.804 94.264 71.825 1.00 0.00 C ATOM 539 OE1 GLN A 38 48.917 94.471 71.387 1.00 0.00 O ATOM 540 NE2 GLN A 38 46.904 93.687 71.076 1.00 0.00 N ATOM 0 H GLN A 38 48.884 98.155 74.850 1.00 0.00 H new ATOM 0 HA GLN A 38 46.424 96.393 75.107 1.00 0.00 H new ATOM 0 HB2 GLN A 38 47.349 96.781 72.772 1.00 0.00 H new ATOM 0 HB3 GLN A 38 48.923 96.246 73.327 1.00 0.00 H new ATOM 0 HG2 GLN A 38 47.941 94.023 73.969 1.00 0.00 H new ATOM 0 HG3 GLN A 38 46.367 94.558 73.413 1.00 0.00 H new ATOM 0 HE21 GLN A 38 45.969 93.513 71.445 1.00 0.00 H new ATOM 0 HE22 GLN A 38 47.136 93.410 70.122 1.00 0.00 H new ATOM 549 N ASN A 39 47.554 94.827 76.630 1.00 15.86 N ATOM 550 CA ASN A 39 48.221 93.978 77.664 1.00 17.88 C ATOM 551 C ASN A 39 48.672 92.648 77.056 1.00 18.37 C ATOM 552 O ASN A 39 47.861 91.855 76.614 1.00 18.69 O ATOM 553 CB ASN A 39 47.168 93.751 78.750 1.00 19.10 C ATOM 554 CG ASN A 39 47.815 93.055 79.949 1.00 21.34 C ATOM 555 OD1 ASN A 39 47.853 91.842 80.016 1.00 20.99 O ATOM 556 ND2 ASN A 39 48.330 93.776 80.906 1.00 19.13 N ATOM 0 H ASN A 39 46.553 94.665 76.517 1.00 15.86 H new ATOM 0 HA ASN A 39 49.114 94.456 78.067 1.00 17.88 H new ATOM 0 HB2 ASN A 39 46.736 94.703 79.058 1.00 19.10 H new ATOM 0 HB3 ASN A 39 46.352 93.143 78.359 1.00 19.10 H new ATOM 0 HD21 ASN A 39 48.764 93.322 81.710 1.00 19.13 H new ATOM 0 HD22 ASN A 39 48.299 94.794 80.851 1.00 19.13 H new ATOM 563 N ALA A 40 49.953 92.387 77.050 1.00 0.00 N ATOM 564 CA ALA A 40 50.459 91.096 76.493 1.00 0.00 C ATOM 565 C ALA A 40 51.085 90.239 77.605 1.00 0.00 C ATOM 566 O ALA A 40 51.720 89.237 77.333 1.00 0.00 O ATOM 567 CB ALA A 40 51.506 91.487 75.451 1.00 0.00 C ATOM 0 H ALA A 40 50.673 93.014 77.408 1.00 0.00 H new ATOM 0 HA ALA A 40 49.659 90.500 76.054 1.00 0.00 H new ATOM 0 HB1 ALA A 40 51.923 90.587 74.998 1.00 0.00 H new ATOM 0 HB2 ALA A 40 51.040 92.099 74.679 1.00 0.00 H new ATOM 0 HB3 ALA A 40 52.303 92.054 75.931 1.00 0.00 H new ATOM 573 N GLY A 41 50.902 90.611 78.852 1.00 27.60 N ATOM 574 CA GLY A 41 51.475 89.804 79.970 1.00 28.62 C ATOM 575 C GLY A 41 50.513 88.663 80.301 1.00 29.10 C ATOM 576 O GLY A 41 49.407 88.614 79.797 1.00 28.18 O ATOM 0 H GLY A 41 50.380 91.439 79.140 1.00 27.60 H new ATOM 0 HA2 GLY A 41 52.449 89.405 79.686 1.00 28.62 H new ATOM 0 HA3 GLY A 41 51.631 90.432 80.847 1.00 28.62 H new ATOM 580 N ALA A 42 50.921 87.747 81.144 1.00 0.00 N ATOM 581 CA ALA A 42 50.020 86.611 81.503 1.00 0.00 C ATOM 582 C ALA A 42 49.078 87.025 82.631 1.00 0.00 C ATOM 583 O ALA A 42 47.953 86.570 82.718 1.00 0.00 O ATOM 584 CB ALA A 42 50.953 85.490 81.963 1.00 0.00 C ATOM 0 H ALA A 42 51.835 87.737 81.597 1.00 0.00 H new ATOM 0 HA ALA A 42 49.396 86.298 80.666 1.00 0.00 H new ATOM 0 HB1 ALA A 42 50.363 84.618 82.245 1.00 0.00 H new ATOM 0 HB2 ALA A 42 51.630 85.224 81.151 1.00 0.00 H new ATOM 0 HB3 ALA A 42 51.533 85.828 82.822 1.00 0.00 H new ATOM 590 N VAL A 43 49.539 87.888 83.493 1.00 0.00 N ATOM 591 CA VAL A 43 48.690 88.355 84.632 1.00 0.00 C ATOM 592 C VAL A 43 48.152 89.765 84.339 1.00 0.00 C ATOM 593 O VAL A 43 48.860 90.595 83.806 1.00 0.00 O ATOM 594 CB VAL A 43 49.628 88.352 85.847 1.00 0.00 C ATOM 595 CG1 VAL A 43 48.895 88.869 87.086 1.00 0.00 C ATOM 596 CG2 VAL A 43 50.111 86.923 86.109 1.00 0.00 C ATOM 0 H VAL A 43 50.474 88.294 83.459 1.00 0.00 H new ATOM 0 HA VAL A 43 47.819 87.722 84.801 1.00 0.00 H new ATOM 0 HB VAL A 43 50.477 89.003 85.639 1.00 0.00 H new ATOM 0 HG11 VAL A 43 49.573 88.861 87.940 1.00 0.00 H new ATOM 0 HG12 VAL A 43 48.550 89.887 86.906 1.00 0.00 H new ATOM 0 HG13 VAL A 43 48.039 88.228 87.296 1.00 0.00 H new ATOM 0 HG21 VAL A 43 50.778 86.917 86.971 1.00 0.00 H new ATOM 0 HG22 VAL A 43 49.254 86.280 86.308 1.00 0.00 H new ATOM 0 HG23 VAL A 43 50.646 86.554 85.234 1.00 0.00 H new ATOM 606 N PRO A 44 46.899 89.983 84.690 1.00 21.08 N ATOM 607 CA PRO A 44 46.293 91.329 84.424 1.00 21.01 C ATOM 608 C PRO A 44 47.149 92.463 85.005 1.00 21.95 C ATOM 609 O PRO A 44 47.771 92.323 86.045 1.00 21.40 O ATOM 610 CB PRO A 44 44.929 91.266 85.109 1.00 20.53 C ATOM 611 CG PRO A 44 45.089 90.221 86.154 1.00 18.90 C ATOM 612 CD PRO A 44 46.007 89.192 85.561 1.00 19.89 C ATOM 0 HA PRO A 44 46.220 91.541 83.357 1.00 21.01 H new ATOM 0 HB2 PRO A 44 44.659 92.227 85.546 1.00 20.53 H new ATOM 0 HB3 PRO A 44 44.141 91.004 84.403 1.00 20.53 H new ATOM 0 HG2 PRO A 44 45.510 90.642 87.067 1.00 18.90 H new ATOM 0 HG3 PRO A 44 44.127 89.782 86.419 1.00 18.90 H new ATOM 0 HD2 PRO A 44 46.566 88.662 86.332 1.00 19.89 H new ATOM 0 HD3 PRO A 44 45.456 88.442 84.994 1.00 19.89 H new ATOM 620 N ALA A 45 47.184 93.578 84.323 1.00 20.91 N ATOM 621 CA ALA A 45 47.997 94.736 84.796 1.00 19.47 C ATOM 622 C ALA A 45 47.255 96.059 84.574 1.00 19.21 C ATOM 623 O ALA A 45 46.447 96.196 83.672 1.00 19.53 O ATOM 624 CB ALA A 45 49.260 94.694 83.936 1.00 18.37 C ATOM 0 H ALA A 45 46.679 93.736 83.451 1.00 20.91 H new ATOM 0 HA ALA A 45 48.208 94.674 85.864 1.00 19.47 H new ATOM 0 HB1 ALA A 45 49.919 95.515 84.217 1.00 18.37 H new ATOM 0 HB2 ALA A 45 49.775 93.746 84.091 1.00 18.37 H new ATOM 0 HB3 ALA A 45 48.988 94.791 82.885 1.00 18.37 H new ATOM 630 N ARG A 46 47.538 97.033 85.398 1.00 0.00 N ATOM 631 CA ARG A 46 46.876 98.363 85.263 1.00 0.00 C ATOM 632 C ARG A 46 47.940 99.463 85.207 1.00 0.00 C ATOM 633 O ARG A 46 49.060 99.269 85.644 1.00 0.00 O ATOM 634 CB ARG A 46 46.002 98.510 86.514 1.00 0.00 C ATOM 635 CG ARG A 46 46.868 98.423 87.776 1.00 0.00 C ATOM 636 CD ARG A 46 46.034 98.811 89.001 1.00 0.00 C ATOM 637 NE ARG A 46 46.364 97.787 90.032 1.00 0.00 N ATOM 638 CZ ARG A 46 47.287 98.031 90.921 1.00 0.00 C ATOM 639 NH1 ARG A 46 47.281 99.160 91.575 1.00 0.00 N ATOM 640 NH2 ARG A 46 48.216 97.145 91.155 1.00 0.00 N ATOM 0 H ARG A 46 48.206 96.963 86.166 1.00 0.00 H new ATOM 0 HA ARG A 46 46.281 98.444 84.353 1.00 0.00 H new ATOM 0 HB2 ARG A 46 45.476 99.465 86.490 1.00 0.00 H new ATOM 0 HB3 ARG A 46 45.243 97.728 86.530 1.00 0.00 H new ATOM 0 HG2 ARG A 46 47.256 97.411 87.894 1.00 0.00 H new ATOM 0 HG3 ARG A 46 47.729 99.086 87.685 1.00 0.00 H new ATOM 0 HD2 ARG A 46 46.284 99.814 89.347 1.00 0.00 H new ATOM 0 HD3 ARG A 46 44.969 98.809 88.770 1.00 0.00 H new ATOM 0 HE ARG A 46 45.868 96.896 90.043 1.00 0.00 H new ATOM 0 HH11 ARG A 46 46.555 99.852 91.391 1.00 0.00 H new ATOM 0 HH12 ARG A 46 48.003 99.351 92.270 1.00 0.00 H new ATOM 0 HH21 ARG A 46 48.220 96.263 90.643 1.00 0.00 H new ATOM 0 HH22 ARG A 46 48.938 97.335 91.850 1.00 0.00 H new ATOM 654 N LEU A 47 47.603 100.610 84.676 1.00 0.00 N ATOM 655 CA LEU A 47 48.603 101.718 84.595 1.00 0.00 C ATOM 656 C LEU A 47 48.411 102.667 85.780 1.00 0.00 C ATOM 657 O LEU A 47 47.366 103.270 85.936 1.00 0.00 O ATOM 658 CB LEU A 47 48.302 102.427 83.273 1.00 0.00 C ATOM 659 CG LEU A 47 49.478 103.328 82.894 1.00 0.00 C ATOM 660 CD1 LEU A 47 49.377 103.705 81.416 1.00 0.00 C ATOM 661 CD2 LEU A 47 49.446 104.598 83.746 1.00 0.00 C ATOM 0 H LEU A 47 46.682 100.828 84.296 1.00 0.00 H new ATOM 0 HA LEU A 47 49.633 101.362 84.632 1.00 0.00 H new ATOM 0 HB2 LEU A 47 48.125 101.693 82.487 1.00 0.00 H new ATOM 0 HB3 LEU A 47 47.392 103.020 83.366 1.00 0.00 H new ATOM 0 HG LEU A 47 50.413 102.796 83.071 1.00 0.00 H new ATOM 0 HD11 LEU A 47 50.215 104.347 81.146 1.00 0.00 H new ATOM 0 HD12 LEU A 47 49.402 102.801 80.807 1.00 0.00 H new ATOM 0 HD13 LEU A 47 48.442 104.236 81.239 1.00 0.00 H new ATOM 0 HD21 LEU A 47 50.285 105.239 83.475 1.00 0.00 H new ATOM 0 HD22 LEU A 47 48.511 105.130 83.571 1.00 0.00 H new ATOM 0 HD23 LEU A 47 49.520 104.331 84.800 1.00 0.00 H new ATOM 673 N VAL A 48 49.409 102.795 86.619 1.00 0.00 N ATOM 674 CA VAL A 48 49.278 103.696 87.804 1.00 0.00 C ATOM 675 C VAL A 48 49.989 105.034 87.561 1.00 0.00 C ATOM 676 O VAL A 48 49.658 106.030 88.179 1.00 0.00 O ATOM 677 CB VAL A 48 49.921 102.930 88.968 1.00 0.00 C ATOM 678 CG1 VAL A 48 51.412 102.674 88.685 1.00 0.00 C ATOM 679 CG2 VAL A 48 49.773 103.748 90.255 1.00 0.00 C ATOM 0 H VAL A 48 50.306 102.316 86.535 1.00 0.00 H new ATOM 0 HA VAL A 48 48.237 103.943 88.011 1.00 0.00 H new ATOM 0 HB VAL A 48 49.419 101.969 89.081 1.00 0.00 H new ATOM 0 HG11 VAL A 48 51.853 102.130 89.520 1.00 0.00 H new ATOM 0 HG12 VAL A 48 51.513 102.084 87.774 1.00 0.00 H new ATOM 0 HG13 VAL A 48 51.927 103.626 88.560 1.00 0.00 H new ATOM 0 HG21 VAL A 48 50.229 103.207 91.084 1.00 0.00 H new ATOM 0 HG22 VAL A 48 50.269 104.711 90.133 1.00 0.00 H new ATOM 0 HG23 VAL A 48 48.715 103.909 90.464 1.00 0.00 H new ATOM 689 N ALA A 49 50.967 105.070 86.686 1.00 0.00 N ATOM 690 CA ALA A 49 51.688 106.359 86.443 1.00 0.00 C ATOM 691 C ALA A 49 52.052 106.541 84.964 1.00 0.00 C ATOM 692 O ALA A 49 52.040 105.610 84.182 1.00 0.00 O ATOM 693 CB ALA A 49 52.953 106.269 87.296 1.00 0.00 C ATOM 0 H ALA A 49 51.293 104.274 86.137 1.00 0.00 H new ATOM 0 HA ALA A 49 51.065 107.215 86.703 1.00 0.00 H new ATOM 0 HB1 ALA A 49 53.540 107.179 87.174 1.00 0.00 H new ATOM 0 HB2 ALA A 49 52.678 106.153 88.344 1.00 0.00 H new ATOM 0 HB3 ALA A 49 53.545 105.410 86.979 1.00 0.00 H new ATOM 699 N ARG A 50 52.383 107.752 84.591 1.00 18.13 N ATOM 700 CA ARG A 50 52.764 108.051 83.179 1.00 20.89 C ATOM 701 C ARG A 50 53.970 109.001 83.145 1.00 22.46 C ATOM 702 O ARG A 50 54.053 109.949 83.904 1.00 23.35 O ATOM 703 CB ARG A 50 51.524 108.722 82.564 1.00 21.09 C ATOM 704 CG ARG A 50 51.235 110.060 83.253 1.00 22.20 C ATOM 705 CD ARG A 50 49.851 110.563 82.835 1.00 26.75 C ATOM 706 NE ARG A 50 49.671 111.848 83.566 1.00 26.68 N ATOM 707 CZ ARG A 50 49.888 112.981 82.955 1.00 28.58 C ATOM 708 NH1 ARG A 50 49.041 113.413 82.062 1.00 27.75 N ATOM 709 NH2 ARG A 50 50.951 113.683 83.240 1.00 29.05 N ATOM 0 H ARG A 50 52.405 108.558 85.216 1.00 18.13 H new ATOM 0 HA ARG A 50 53.053 107.155 82.630 1.00 20.89 H new ATOM 0 HB2 ARG A 50 51.683 108.883 81.498 1.00 21.09 H new ATOM 0 HB3 ARG A 50 50.661 108.063 82.662 1.00 21.09 H new ATOM 0 HG2 ARG A 50 51.278 109.940 84.336 1.00 22.20 H new ATOM 0 HG3 ARG A 50 51.996 110.792 82.983 1.00 22.20 H new ATOM 0 HD2 ARG A 50 49.794 110.711 81.757 1.00 26.75 H new ATOM 0 HD3 ARG A 50 49.074 109.846 83.100 1.00 26.75 H new ATOM 0 HE ARG A 50 49.378 111.843 84.543 1.00 26.68 H new ATOM 0 HH11 ARG A 50 48.209 112.866 81.841 1.00 27.75 H new ATOM 0 HH12 ARG A 50 49.210 114.298 81.585 1.00 27.75 H new ATOM 0 HH21 ARG A 50 51.612 113.346 83.940 1.00 29.05 H new ATOM 0 HH22 ARG A 50 51.121 114.568 82.763 1.00 29.05 H new ATOM 723 N HIS A 51 54.905 108.736 82.270 1.00 22.89 N ATOM 724 CA HIS A 51 56.121 109.597 82.166 1.00 23.99 C ATOM 725 C HIS A 51 56.528 109.748 80.695 1.00 24.58 C ATOM 726 O HIS A 51 56.963 108.808 80.058 1.00 24.14 O ATOM 727 CB HIS A 51 57.193 108.846 82.966 1.00 22.92 C ATOM 728 CG HIS A 51 58.502 109.587 82.909 1.00 25.85 C ATOM 729 ND1 HIS A 51 59.713 108.963 83.165 1.00 27.97 N ATOM 730 CD2 HIS A 51 58.806 110.895 82.626 1.00 26.54 C ATOM 731 CE1 HIS A 51 60.681 109.888 83.033 1.00 26.28 C ATOM 732 NE2 HIS A 51 60.183 111.082 82.705 1.00 25.48 N ATOM 0 H HIS A 51 54.878 107.953 81.617 1.00 22.89 H new ATOM 0 HA HIS A 51 55.965 110.605 82.549 1.00 23.99 H new ATOM 0 HB2 HIS A 51 56.874 108.737 84.002 1.00 22.92 H new ATOM 0 HB3 HIS A 51 57.319 107.841 82.564 1.00 22.92 H new ATOM 0 HD1 HIS A 51 59.846 107.982 83.409 1.00 27.97 H new ATOM 0 HD2 HIS A 51 58.087 111.662 82.380 1.00 26.54 H new ATOM 0 HE1 HIS A 51 61.733 109.689 83.175 1.00 26.28 H new ATOM 740 N TRP A 52 56.380 110.933 80.158 1.00 24.73 N ATOM 741 CA TRP A 52 56.746 111.175 78.729 1.00 24.73 C ATOM 742 C TRP A 52 58.081 111.917 78.612 1.00 25.24 C ATOM 743 O TRP A 52 58.324 112.895 79.292 1.00 25.25 O ATOM 744 CB TRP A 52 55.617 112.050 78.183 1.00 22.37 C ATOM 745 CG TRP A 52 54.454 111.195 77.795 1.00 21.36 C ATOM 746 CD1 TRP A 52 53.287 111.109 78.474 1.00 21.28 C ATOM 747 CD2 TRP A 52 54.330 110.301 76.651 1.00 20.49 C ATOM 748 NE1 TRP A 52 52.453 110.222 77.816 1.00 19.65 N ATOM 749 CE2 TRP A 52 53.053 109.698 76.686 1.00 19.51 C ATOM 750 CE3 TRP A 52 55.195 109.963 75.595 1.00 19.22 C ATOM 751 CZ2 TRP A 52 52.647 108.789 75.709 1.00 19.14 C ATOM 752 CZ3 TRP A 52 54.790 109.049 74.610 1.00 19.43 C ATOM 753 CH2 TRP A 52 53.519 108.463 74.667 1.00 18.33 C ATOM 0 H TRP A 52 56.019 111.749 80.652 1.00 24.73 H new ATOM 0 HA TRP A 52 56.863 110.239 78.182 1.00 24.73 H new ATOM 0 HB2 TRP A 52 55.311 112.776 78.936 1.00 22.37 H new ATOM 0 HB3 TRP A 52 55.968 112.615 77.320 1.00 22.37 H new ATOM 0 HD1 TRP A 52 53.046 111.644 79.380 1.00 21.28 H new ATOM 0 HE1 TRP A 52 51.511 109.984 78.127 1.00 19.65 H new ATOM 0 HE3 TRP A 52 56.177 110.409 75.542 1.00 19.22 H new ATOM 0 HZ2 TRP A 52 51.666 108.340 75.758 1.00 19.14 H new ATOM 0 HZ3 TRP A 52 55.462 108.796 73.803 1.00 19.43 H new ATOM 0 HH2 TRP A 52 53.213 107.760 73.906 1.00 18.33 H new ATOM 764 N GLN A 53 58.940 111.454 77.742 1.00 0.00 N ATOM 765 CA GLN A 53 60.266 112.115 77.547 1.00 0.00 C ATOM 766 C GLN A 53 60.341 112.677 76.124 1.00 0.00 C ATOM 767 O GLN A 53 60.899 112.062 75.232 1.00 0.00 O ATOM 768 CB GLN A 53 61.293 110.998 77.740 1.00 0.00 C ATOM 769 CG GLN A 53 62.706 111.571 77.595 1.00 0.00 C ATOM 770 CD GLN A 53 63.736 110.457 77.799 1.00 0.00 C ATOM 771 OE1 GLN A 53 63.449 109.456 78.425 1.00 0.00 O ATOM 772 NE2 GLN A 53 64.931 110.590 77.293 1.00 0.00 N ATOM 0 H GLN A 53 58.778 110.638 77.152 1.00 0.00 H new ATOM 0 HA GLN A 53 60.437 112.942 78.237 1.00 0.00 H new ATOM 0 HB2 GLN A 53 61.172 110.545 78.724 1.00 0.00 H new ATOM 0 HB3 GLN A 53 61.132 110.210 77.004 1.00 0.00 H new ATOM 0 HG2 GLN A 53 62.829 112.017 76.608 1.00 0.00 H new ATOM 0 HG3 GLN A 53 62.864 112.364 78.325 1.00 0.00 H new ATOM 0 HE21 GLN A 53 65.172 111.430 76.767 1.00 0.00 H new ATOM 0 HE22 GLN A 53 65.625 109.854 77.423 1.00 0.00 H new ATOM 781 N ILE A 54 59.757 113.828 75.900 1.00 28.56 N ATOM 782 CA ILE A 54 59.765 114.427 74.528 1.00 31.69 C ATOM 783 C ILE A 54 61.038 115.254 74.274 1.00 31.35 C ATOM 784 O ILE A 54 61.399 116.121 75.047 1.00 31.20 O ATOM 785 CB ILE A 54 58.477 115.294 74.436 1.00 32.89 C ATOM 786 CG1 ILE A 54 58.613 116.594 75.249 1.00 34.14 C ATOM 787 CG2 ILE A 54 57.265 114.506 74.951 1.00 31.08 C ATOM 788 CD1 ILE A 54 57.400 117.489 74.987 1.00 36.11 C ATOM 0 H ILE A 54 59.274 114.380 76.609 1.00 28.56 H new ATOM 0 HA ILE A 54 59.772 113.655 73.759 1.00 31.69 H new ATOM 0 HB ILE A 54 58.333 115.551 73.387 1.00 32.89 H new ATOM 0 HG12 ILE A 54 58.686 116.365 76.312 1.00 34.14 H new ATOM 0 HG13 ILE A 54 59.529 117.115 74.971 1.00 34.14 H new ATOM 0 HG21 ILE A 54 56.371 115.126 74.880 1.00 31.08 H new ATOM 0 HG22 ILE A 54 57.132 113.608 74.348 1.00 31.08 H new ATOM 0 HG23 ILE A 54 57.430 114.224 75.991 1.00 31.08 H new ATOM 0 HD11 ILE A 54 57.496 118.410 75.563 1.00 36.11 H new ATOM 0 HD12 ILE A 54 57.347 117.729 73.925 1.00 36.11 H new ATOM 0 HD13 ILE A 54 56.491 116.967 75.287 1.00 36.11 H new ATOM 800 N THR A 55 61.704 114.994 73.179 1.00 32.39 N ATOM 801 CA THR A 55 62.936 115.769 72.832 1.00 32.79 C ATOM 802 C THR A 55 62.707 116.461 71.490 1.00 33.98 C ATOM 803 O THR A 55 62.273 115.853 70.530 1.00 33.62 O ATOM 804 CB THR A 55 64.076 114.751 72.750 1.00 32.44 C ATOM 805 OG1 THR A 55 64.193 114.071 73.992 1.00 30.14 O ATOM 806 CG2 THR A 55 65.395 115.465 72.429 1.00 31.51 C ATOM 0 H THR A 55 61.447 114.273 72.505 1.00 32.39 H new ATOM 0 HA THR A 55 63.176 116.536 73.568 1.00 32.79 H new ATOM 0 HB THR A 55 63.859 114.033 71.959 1.00 32.44 H new ATOM 0 HG1 THR A 55 64.922 113.418 73.940 1.00 30.14 H new ATOM 0 HG21 THR A 55 66.201 114.733 72.373 1.00 31.51 H new ATOM 0 HG22 THR A 55 65.306 115.981 71.473 1.00 31.51 H new ATOM 0 HG23 THR A 55 65.617 116.189 73.213 1.00 31.51 H new ATOM 814 N ASP A 56 62.977 117.743 71.432 1.00 36.19 N ATOM 815 CA ASP A 56 62.754 118.499 70.167 1.00 38.66 C ATOM 816 C ASP A 56 64.013 118.506 69.293 1.00 38.50 C ATOM 817 O ASP A 56 65.079 118.092 69.708 1.00 37.75 O ATOM 818 CB ASP A 56 62.382 119.916 70.606 1.00 41.21 C ATOM 819 CG ASP A 56 61.786 120.683 69.425 1.00 42.74 C ATOM 820 OD1 ASP A 56 62.552 121.135 68.589 1.00 45.04 O ATOM 821 OD2 ASP A 56 60.574 120.804 69.374 1.00 43.86 O ATOM 0 H ASP A 56 63.342 118.295 72.208 1.00 36.19 H new ATOM 0 HA ASP A 56 61.972 118.044 69.559 1.00 38.66 H new ATOM 0 HB2 ASP A 56 61.664 119.876 71.425 1.00 41.21 H new ATOM 0 HB3 ASP A 56 63.265 120.434 70.980 1.00 41.21 H new ATOM 826 N GLY A 57 63.877 118.963 68.075 1.00 37.51 N ATOM 827 CA GLY A 57 65.033 119.001 67.127 1.00 38.01 C ATOM 828 C GLY A 57 66.156 119.932 67.621 1.00 39.47 C ATOM 829 O GLY A 57 67.222 119.963 67.033 1.00 38.99 O ATOM 0 H GLY A 57 63.001 119.317 67.691 1.00 37.51 H new ATOM 0 HA2 GLY A 57 65.428 117.994 66.997 1.00 38.01 H new ATOM 0 HA3 GLY A 57 64.688 119.336 66.149 1.00 38.01 H new ATOM 833 N ASN A 58 65.956 120.674 68.692 1.00 0.00 N ATOM 834 CA ASN A 58 67.055 121.565 69.190 1.00 0.00 C ATOM 835 C ASN A 58 67.763 120.933 70.405 1.00 0.00 C ATOM 836 O ASN A 58 68.617 121.548 71.016 1.00 0.00 O ATOM 837 CB ASN A 58 66.378 122.887 69.566 1.00 0.00 C ATOM 838 CG ASN A 58 65.302 122.646 70.630 1.00 0.00 C ATOM 839 OD1 ASN A 58 65.240 121.589 71.227 1.00 0.00 O ATOM 840 ND2 ASN A 58 64.441 123.592 70.893 1.00 0.00 N ATOM 0 H ASN A 58 65.092 120.700 69.234 1.00 0.00 H new ATOM 0 HA ASN A 58 67.826 121.717 68.434 1.00 0.00 H new ATOM 0 HB2 ASN A 58 67.121 123.590 69.942 1.00 0.00 H new ATOM 0 HB3 ASN A 58 65.930 123.339 68.681 1.00 0.00 H new ATOM 0 HD21 ASN A 58 63.719 123.443 71.598 1.00 0.00 H new ATOM 0 HD22 ASN A 58 64.491 124.480 70.394 1.00 0.00 H new ATOM 847 N GLY A 59 67.432 119.706 70.740 1.00 0.00 N ATOM 848 CA GLY A 59 68.105 119.030 71.892 1.00 0.00 C ATOM 849 C GLY A 59 67.314 119.237 73.188 1.00 0.00 C ATOM 850 O GLY A 59 67.297 118.376 74.048 1.00 0.00 O ATOM 0 H GLY A 59 66.725 119.146 70.264 1.00 0.00 H new ATOM 0 HA2 GLY A 59 68.201 117.964 71.687 1.00 0.00 H new ATOM 0 HA3 GLY A 59 69.114 119.424 72.011 1.00 0.00 H new ATOM 854 N ARG A 60 66.664 120.366 73.345 1.00 49.10 N ATOM 855 CA ARG A 60 65.883 120.610 74.603 1.00 50.05 C ATOM 856 C ARG A 60 64.794 119.543 74.754 1.00 49.79 C ATOM 857 O ARG A 60 64.198 119.117 73.783 1.00 48.27 O ATOM 858 CB ARG A 60 65.259 122.002 74.433 1.00 52.38 C ATOM 859 CG ARG A 60 65.955 123.008 75.363 1.00 55.08 C ATOM 860 CD ARG A 60 66.845 123.947 74.542 1.00 57.97 C ATOM 861 NE ARG A 60 65.916 124.644 73.610 1.00 60.72 N ATOM 862 CZ ARG A 60 65.320 125.742 73.985 1.00 61.65 C ATOM 863 NH1 ARG A 60 65.906 126.895 73.812 1.00 62.78 N ATOM 864 NH2 ARG A 60 64.136 125.687 74.532 1.00 61.80 N ATOM 0 H ARG A 60 66.639 121.124 72.663 1.00 49.10 H new ATOM 0 HA ARG A 60 66.509 120.560 75.494 1.00 50.05 H new ATOM 0 HB2 ARG A 60 65.353 122.327 73.397 1.00 52.38 H new ATOM 0 HB3 ARG A 60 64.194 121.962 74.659 1.00 52.38 H new ATOM 0 HG2 ARG A 60 65.210 123.585 75.911 1.00 55.08 H new ATOM 0 HG3 ARG A 60 66.555 122.478 76.103 1.00 55.08 H new ATOM 0 HD2 ARG A 60 67.366 124.657 75.184 1.00 57.97 H new ATOM 0 HD3 ARG A 60 67.607 123.391 73.996 1.00 57.97 H new ATOM 0 HE ARG A 60 65.746 124.263 72.679 1.00 60.72 H new ATOM 0 HH11 ARG A 60 66.831 126.938 73.383 1.00 62.78 H new ATOM 0 HH12 ARG A 60 65.439 127.753 74.105 1.00 62.78 H new ATOM 0 HH21 ARG A 60 63.677 124.786 74.666 1.00 61.80 H new ATOM 0 HH22 ARG A 60 63.669 126.545 74.825 1.00 61.80 H new ATOM 878 N THR A 61 64.542 119.099 75.962 1.00 0.00 N ATOM 879 CA THR A 61 63.498 118.046 76.164 1.00 0.00 C ATOM 880 C THR A 61 62.576 118.418 77.328 1.00 0.00 C ATOM 881 O THR A 61 62.973 119.114 78.243 1.00 0.00 O ATOM 882 CB THR A 61 64.272 116.763 76.489 1.00 0.00 C ATOM 883 OG1 THR A 61 64.966 116.932 77.718 1.00 0.00 O ATOM 884 CG2 THR A 61 65.275 116.458 75.375 1.00 0.00 C ATOM 0 H THR A 61 65.010 119.417 76.811 1.00 0.00 H new ATOM 0 HA THR A 61 62.867 117.930 75.283 1.00 0.00 H new ATOM 0 HB THR A 61 63.571 115.933 76.572 1.00 0.00 H new ATOM 0 HG1 THR A 61 65.461 116.113 77.930 1.00 0.00 H new ATOM 0 HG21 THR A 61 65.819 115.545 75.616 1.00 0.00 H new ATOM 0 HG22 THR A 61 64.743 116.326 74.433 1.00 0.00 H new ATOM 0 HG23 THR A 61 65.978 117.286 75.282 1.00 0.00 H new ATOM 892 N GLU A 62 61.352 117.955 77.300 1.00 0.00 N ATOM 893 CA GLU A 62 60.402 118.274 78.406 1.00 0.00 C ATOM 894 C GLU A 62 59.909 116.979 79.057 1.00 0.00 C ATOM 895 O GLU A 62 59.351 116.114 78.405 1.00 0.00 O ATOM 896 CB GLU A 62 59.244 119.016 77.737 1.00 0.00 C ATOM 897 CG GLU A 62 59.717 120.399 77.283 1.00 0.00 C ATOM 898 CD GLU A 62 58.560 121.141 76.613 1.00 0.00 C ATOM 899 OE1 GLU A 62 58.327 120.900 75.439 1.00 0.00 O ATOM 900 OE2 GLU A 62 57.924 121.936 77.285 1.00 0.00 O ATOM 0 H GLU A 62 60.970 117.369 76.557 1.00 0.00 H new ATOM 0 HA GLU A 62 60.863 118.873 79.191 1.00 0.00 H new ATOM 0 HB2 GLU A 62 58.879 118.446 76.882 1.00 0.00 H new ATOM 0 HB3 GLU A 62 58.411 119.115 78.433 1.00 0.00 H new ATOM 0 HG2 GLU A 62 60.082 120.969 78.138 1.00 0.00 H new ATOM 0 HG3 GLU A 62 60.550 120.300 76.587 1.00 0.00 H new ATOM 907 N GLN A 63 60.127 116.837 80.338 1.00 0.00 N ATOM 908 CA GLN A 63 59.691 115.601 81.051 1.00 0.00 C ATOM 909 C GLN A 63 58.410 115.861 81.849 1.00 0.00 C ATOM 910 O GLN A 63 58.283 116.867 82.521 1.00 0.00 O ATOM 911 CB GLN A 63 60.845 115.289 82.003 1.00 0.00 C ATOM 912 CG GLN A 63 60.673 113.881 82.571 1.00 0.00 C ATOM 913 CD GLN A 63 61.828 113.568 83.524 1.00 0.00 C ATOM 914 OE1 GLN A 63 62.604 112.548 83.276 1.00 0.00 O flip ATOM 915 NE2 GLN A 63 62.028 114.260 84.502 1.00 0.00 N flip ATOM 0 H GLN A 63 60.592 117.530 80.925 1.00 0.00 H new ATOM 0 HA GLN A 63 59.474 114.783 80.364 1.00 0.00 H new ATOM 0 HB2 GLN A 63 61.796 115.366 81.476 1.00 0.00 H new ATOM 0 HB3 GLN A 63 60.870 116.018 82.813 1.00 0.00 H new ATOM 0 HG2 GLN A 63 59.722 113.804 83.098 1.00 0.00 H new ATOM 0 HG3 GLN A 63 60.648 113.152 81.761 1.00 0.00 H new ATOM 0 HE21 GLN A 63 61.422 115.057 84.696 1.00 0.00 H new ATOM 0 HE22 GLN A 63 62.802 114.044 85.130 1.00 0.00 H new ATOM 924 N VAL A 64 57.461 114.962 81.773 1.00 37.94 N ATOM 925 CA VAL A 64 56.181 115.157 82.521 1.00 37.05 C ATOM 926 C VAL A 64 55.840 113.904 83.337 1.00 36.89 C ATOM 927 O VAL A 64 55.853 112.795 82.840 1.00 36.32 O ATOM 928 CB VAL A 64 55.120 115.420 81.447 1.00 36.50 C ATOM 929 CG1 VAL A 64 53.756 115.637 82.108 1.00 37.01 C ATOM 930 CG2 VAL A 64 55.498 116.674 80.651 1.00 35.74 C ATOM 0 H VAL A 64 57.517 114.103 81.226 1.00 37.94 H new ATOM 0 HA VAL A 64 56.243 115.981 83.232 1.00 37.05 H new ATOM 0 HB VAL A 64 55.067 114.561 80.779 1.00 36.50 H new ATOM 0 HG11 VAL A 64 53.005 115.824 81.340 1.00 37.01 H new ATOM 0 HG12 VAL A 64 53.481 114.748 82.676 1.00 37.01 H new ATOM 0 HG13 VAL A 64 53.809 116.494 82.779 1.00 37.01 H new ATOM 0 HG21 VAL A 64 54.743 116.861 79.887 1.00 35.74 H new ATOM 0 HG22 VAL A 64 55.553 117.530 81.324 1.00 35.74 H new ATOM 0 HG23 VAL A 64 56.467 116.524 80.175 1.00 35.74 H new ATOM 940 N ASP A 65 55.535 114.095 84.593 1.00 0.00 N ATOM 941 CA ASP A 65 55.187 112.952 85.487 1.00 0.00 C ATOM 942 C ASP A 65 53.847 113.228 86.177 1.00 0.00 C ATOM 943 O ASP A 65 53.667 114.258 86.799 1.00 0.00 O ATOM 944 CB ASP A 65 56.315 112.901 86.519 1.00 0.00 C ATOM 945 CG ASP A 65 57.606 112.431 85.846 1.00 0.00 C ATOM 946 OD1 ASP A 65 57.517 111.622 84.937 1.00 0.00 O ATOM 947 OD2 ASP A 65 58.663 112.886 86.253 1.00 0.00 O ATOM 0 H ASP A 65 55.512 115.009 85.044 1.00 0.00 H new ATOM 0 HA ASP A 65 55.088 112.011 84.945 1.00 0.00 H new ATOM 0 HB2 ASP A 65 56.462 113.886 86.961 1.00 0.00 H new ATOM 0 HB3 ASP A 65 56.049 112.224 87.330 1.00 0.00 H new ATOM 952 N GLY A 66 52.909 112.319 86.075 1.00 31.82 N ATOM 953 CA GLY A 66 51.583 112.536 86.728 1.00 29.07 C ATOM 954 C GLY A 66 50.985 111.191 87.147 1.00 27.67 C ATOM 955 O GLY A 66 51.206 110.179 86.511 1.00 27.18 O ATOM 0 H GLY A 66 53.005 111.439 85.569 1.00 31.82 H new ATOM 0 HA2 GLY A 66 51.698 113.181 87.599 1.00 29.07 H new ATOM 0 HA3 GLY A 66 50.908 113.046 86.041 1.00 29.07 H new ATOM 959 N GLU A 67 50.227 111.175 88.215 1.00 0.00 N ATOM 960 CA GLU A 67 49.606 109.896 88.679 1.00 0.00 C ATOM 961 C GLU A 67 48.494 109.468 87.717 1.00 0.00 C ATOM 962 O GLU A 67 47.867 110.288 87.075 1.00 0.00 O ATOM 963 CB GLU A 67 49.027 110.209 90.061 1.00 0.00 C ATOM 964 CG GLU A 67 48.560 108.912 90.726 1.00 0.00 C ATOM 965 CD GLU A 67 49.771 108.029 91.038 1.00 0.00 C ATOM 966 OE1 GLU A 67 50.821 108.578 91.331 1.00 0.00 O ATOM 967 OE2 GLU A 67 49.627 106.819 90.980 1.00 0.00 O ATOM 0 H GLU A 67 50.011 111.992 88.786 1.00 0.00 H new ATOM 0 HA GLU A 67 50.327 109.080 88.716 1.00 0.00 H new ATOM 0 HB2 GLU A 67 49.780 110.697 90.680 1.00 0.00 H new ATOM 0 HB3 GLU A 67 48.192 110.903 89.968 1.00 0.00 H new ATOM 0 HG2 GLU A 67 48.016 109.137 91.643 1.00 0.00 H new ATOM 0 HG3 GLU A 67 47.871 108.382 90.068 1.00 0.00 H new ATOM 974 N GLY A 68 48.235 108.186 87.626 1.00 22.62 N ATOM 975 CA GLY A 68 47.152 107.678 86.724 1.00 22.36 C ATOM 976 C GLY A 68 47.290 108.252 85.307 1.00 20.38 C ATOM 977 O GLY A 68 48.258 108.909 84.978 1.00 21.93 O ATOM 0 H GLY A 68 48.733 107.462 88.144 1.00 22.62 H new ATOM 0 HA2 GLY A 68 47.191 106.589 86.683 1.00 22.36 H new ATOM 0 HA3 GLY A 68 46.179 107.947 87.134 1.00 22.36 H new ATOM 981 N VAL A 69 46.311 108.003 84.478 1.00 17.51 N ATOM 982 CA VAL A 69 46.331 108.519 83.074 1.00 15.40 C ATOM 983 C VAL A 69 45.007 109.219 82.765 1.00 17.02 C ATOM 984 O VAL A 69 43.943 108.684 82.987 1.00 17.35 O ATOM 985 CB VAL A 69 46.521 107.297 82.163 1.00 12.26 C ATOM 986 CG1 VAL A 69 47.946 106.765 82.318 1.00 8.73 C ATOM 987 CG2 VAL A 69 45.521 106.191 82.527 1.00 8.21 C ATOM 0 H VAL A 69 45.484 107.455 84.717 1.00 17.51 H new ATOM 0 HA VAL A 69 47.132 109.243 82.922 1.00 15.40 H new ATOM 0 HB VAL A 69 46.347 107.600 81.130 1.00 12.26 H new ATOM 0 HG11 VAL A 69 48.083 105.898 81.672 1.00 8.73 H new ATOM 0 HG12 VAL A 69 48.657 107.542 82.037 1.00 8.73 H new ATOM 0 HG13 VAL A 69 48.115 106.475 83.355 1.00 8.73 H new ATOM 0 HG21 VAL A 69 45.671 105.334 81.871 1.00 8.21 H new ATOM 0 HG22 VAL A 69 45.676 105.887 83.562 1.00 8.21 H new ATOM 0 HG23 VAL A 69 44.504 106.566 82.407 1.00 8.21 H new ATOM 997 N VAL A 70 45.092 110.428 82.269 1.00 17.68 N ATOM 998 CA VAL A 70 43.880 111.255 81.928 1.00 16.81 C ATOM 999 C VAL A 70 42.777 111.126 83.005 1.00 17.08 C ATOM 1000 O VAL A 70 41.598 111.190 82.719 1.00 16.77 O ATOM 1001 CB VAL A 70 43.397 110.802 80.532 1.00 18.60 C ATOM 1002 CG1 VAL A 70 44.563 110.833 79.535 1.00 19.36 C ATOM 1003 CG2 VAL A 70 42.814 109.389 80.591 1.00 20.55 C ATOM 0 H VAL A 70 45.978 110.896 82.078 1.00 17.68 H new ATOM 0 HA VAL A 70 44.133 112.315 81.906 1.00 16.81 H new ATOM 0 HB VAL A 70 42.618 111.490 80.203 1.00 18.60 H new ATOM 0 HG11 VAL A 70 44.212 110.512 78.554 1.00 19.36 H new ATOM 0 HG12 VAL A 70 44.956 111.847 79.466 1.00 19.36 H new ATOM 0 HG13 VAL A 70 45.351 110.162 79.876 1.00 19.36 H new ATOM 0 HG21 VAL A 70 42.480 109.091 79.597 1.00 20.55 H new ATOM 0 HG22 VAL A 70 43.578 108.695 80.941 1.00 20.55 H new ATOM 0 HG23 VAL A 70 41.968 109.373 81.278 1.00 20.55 H new ATOM 1013 N GLY A 71 43.178 110.992 84.247 1.00 17.30 N ATOM 1014 CA GLY A 71 42.196 110.910 85.376 1.00 16.44 C ATOM 1015 C GLY A 71 41.640 109.491 85.587 1.00 18.03 C ATOM 1016 O GLY A 71 40.630 109.325 86.246 1.00 18.29 O ATOM 0 H GLY A 71 44.156 110.935 84.530 1.00 17.30 H new ATOM 0 HA2 GLY A 71 42.678 111.246 86.294 1.00 16.44 H new ATOM 0 HA3 GLY A 71 41.369 111.593 85.181 1.00 16.44 H new ATOM 1020 N GLU A 72 42.272 108.470 85.055 1.00 0.00 N ATOM 1021 CA GLU A 72 41.731 107.085 85.270 1.00 0.00 C ATOM 1022 C GLU A 72 42.848 106.039 85.379 1.00 0.00 C ATOM 1023 O GLU A 72 43.907 106.168 84.799 1.00 0.00 O ATOM 1024 CB GLU A 72 40.833 106.788 84.066 1.00 0.00 C ATOM 1025 CG GLU A 72 41.645 106.877 82.777 1.00 0.00 C ATOM 1026 CD GLU A 72 40.798 106.372 81.608 1.00 0.00 C ATOM 1027 OE1 GLU A 72 40.569 105.177 81.541 1.00 0.00 O ATOM 1028 OE2 GLU A 72 40.394 107.192 80.799 1.00 0.00 O ATOM 0 H GLU A 72 43.121 108.530 84.493 1.00 0.00 H new ATOM 0 HA GLU A 72 41.182 107.035 86.210 1.00 0.00 H new ATOM 0 HB2 GLU A 72 40.397 105.794 84.163 1.00 0.00 H new ATOM 0 HB3 GLU A 72 40.006 107.497 84.035 1.00 0.00 H new ATOM 0 HG2 GLU A 72 41.953 107.907 82.599 1.00 0.00 H new ATOM 0 HG3 GLU A 72 42.554 106.283 82.865 1.00 0.00 H new ATOM 1035 N GLN A 73 42.589 104.996 86.122 1.00 13.09 N ATOM 1036 CA GLN A 73 43.582 103.898 86.302 1.00 15.45 C ATOM 1037 C GLN A 73 43.010 102.606 85.694 1.00 15.30 C ATOM 1038 O GLN A 73 42.589 101.718 86.410 1.00 16.40 O ATOM 1039 CB GLN A 73 43.731 103.755 87.819 1.00 18.12 C ATOM 1040 CG GLN A 73 44.478 104.968 88.376 1.00 18.21 C ATOM 1041 CD GLN A 73 44.429 104.942 89.903 1.00 16.98 C ATOM 1042 OE1 GLN A 73 43.395 104.684 90.487 1.00 18.14 O ATOM 1043 NE2 GLN A 73 45.514 105.199 90.584 1.00 14.04 N ATOM 0 H GLN A 73 41.711 104.857 86.622 1.00 13.09 H new ATOM 0 HA GLN A 73 44.538 104.098 85.819 1.00 15.45 H new ATOM 0 HB2 GLN A 73 42.749 103.674 88.285 1.00 18.12 H new ATOM 0 HB3 GLN A 73 44.273 102.840 88.057 1.00 18.12 H new ATOM 0 HG2 GLN A 73 45.513 104.959 88.035 1.00 18.21 H new ATOM 0 HG3 GLN A 73 44.028 105.888 88.003 1.00 18.21 H new ATOM 0 HE21 GLN A 73 46.383 105.416 90.096 1.00 14.04 H new ATOM 0 HE22 GLN A 73 45.492 105.183 91.604 1.00 14.04 H new ATOM 1052 N PRO A 74 42.985 102.562 84.380 1.00 15.25 N ATOM 1053 CA PRO A 74 42.411 101.359 83.704 1.00 16.63 C ATOM 1054 C PRO A 74 43.096 100.060 84.148 1.00 17.41 C ATOM 1055 O PRO A 74 44.299 99.998 84.324 1.00 17.61 O ATOM 1056 CB PRO A 74 42.662 101.612 82.220 1.00 16.18 C ATOM 1057 CG PRO A 74 43.828 102.536 82.182 1.00 16.38 C ATOM 1058 CD PRO A 74 43.743 103.386 83.418 1.00 13.89 C ATOM 0 HA PRO A 74 41.357 101.228 83.948 1.00 16.63 H new ATOM 0 HB2 PRO A 74 42.876 100.683 81.691 1.00 16.18 H new ATOM 0 HB3 PRO A 74 41.789 102.057 81.742 1.00 16.18 H new ATOM 0 HG2 PRO A 74 44.764 101.978 82.159 1.00 16.38 H new ATOM 0 HG3 PRO A 74 43.804 103.154 81.284 1.00 16.38 H new ATOM 0 HD2 PRO A 74 44.734 103.632 83.800 1.00 13.89 H new ATOM 0 HD3 PRO A 74 43.236 104.330 83.217 1.00 13.89 H new ATOM 1066 N TRP A 75 42.320 99.018 84.301 1.00 0.00 N ATOM 1067 CA TRP A 75 42.873 97.692 84.704 1.00 0.00 C ATOM 1068 C TRP A 75 42.927 96.792 83.468 1.00 0.00 C ATOM 1069 O TRP A 75 42.079 95.941 83.271 1.00 0.00 O ATOM 1070 CB TRP A 75 41.872 97.146 85.726 1.00 0.00 C ATOM 1071 CG TRP A 75 42.558 96.183 86.642 1.00 0.00 C ATOM 1072 CD1 TRP A 75 43.390 96.529 87.650 1.00 0.00 C ATOM 1073 CD2 TRP A 75 42.480 94.728 86.656 1.00 0.00 C ATOM 1074 NE1 TRP A 75 43.832 95.379 88.279 1.00 0.00 N ATOM 1075 CE2 TRP A 75 43.298 94.243 87.704 1.00 0.00 C ATOM 1076 CE3 TRP A 75 41.786 93.791 85.869 1.00 0.00 C ATOM 1077 CZ2 TRP A 75 43.423 92.878 87.962 1.00 0.00 C ATOM 1078 CZ3 TRP A 75 41.910 92.417 86.126 1.00 0.00 C ATOM 1079 CH2 TRP A 75 42.728 91.961 87.170 1.00 0.00 C ATOM 0 H TRP A 75 41.310 99.031 84.161 1.00 0.00 H new ATOM 0 HA TRP A 75 43.878 97.749 85.121 1.00 0.00 H new ATOM 0 HB2 TRP A 75 41.442 97.966 86.301 1.00 0.00 H new ATOM 0 HB3 TRP A 75 41.048 96.650 85.213 1.00 0.00 H new ATOM 0 HD1 TRP A 75 43.665 97.538 87.920 1.00 0.00 H new ATOM 0 HE1 TRP A 75 44.474 95.371 89.071 1.00 0.00 H new ATOM 0 HE3 TRP A 75 41.154 94.131 85.062 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 44.053 92.532 88.768 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 41.372 91.706 85.516 1.00 0.00 H new ATOM 0 HH2 TRP A 75 42.820 90.902 87.361 1.00 0.00 H new ATOM 1090 N LEU A 76 43.899 97.000 82.617 1.00 18.07 N ATOM 1091 CA LEU A 76 43.992 96.186 81.366 1.00 17.96 C ATOM 1092 C LEU A 76 44.170 94.699 81.667 1.00 19.47 C ATOM 1093 O LEU A 76 45.159 94.280 82.237 1.00 20.57 O ATOM 1094 CB LEU A 76 45.211 96.730 80.617 1.00 16.79 C ATOM 1095 CG LEU A 76 44.976 96.607 79.109 1.00 17.27 C ATOM 1096 CD1 LEU A 76 43.814 97.513 78.696 1.00 13.86 C ATOM 1097 CD2 LEU A 76 46.238 97.030 78.354 1.00 15.14 C ATOM 0 H LEU A 76 44.633 97.699 82.734 1.00 18.07 H new ATOM 0 HA LEU A 76 43.076 96.265 80.780 1.00 17.96 H new ATOM 0 HB2 LEU A 76 45.382 97.772 80.886 1.00 16.79 H new ATOM 0 HB3 LEU A 76 46.105 96.176 80.904 1.00 16.79 H new ATOM 0 HG LEU A 76 44.737 95.571 78.867 1.00 17.27 H new ATOM 0 HD11 LEU A 76 43.648 97.425 77.622 1.00 13.86 H new ATOM 0 HD12 LEU A 76 42.912 97.213 79.229 1.00 13.86 H new ATOM 0 HD13 LEU A 76 44.054 98.547 78.942 1.00 13.86 H new ATOM 0 HD21 LEU A 76 46.067 96.941 77.281 1.00 15.14 H new ATOM 0 HD22 LEU A 76 46.479 98.065 78.599 1.00 15.14 H new ATOM 0 HD23 LEU A 76 47.068 96.386 78.644 1.00 15.14 H new ATOM 1109 N ARG A 77 43.222 93.898 81.254 1.00 0.00 N ATOM 1110 CA ARG A 77 43.321 92.426 81.471 1.00 0.00 C ATOM 1111 C ARG A 77 44.071 91.800 80.291 1.00 0.00 C ATOM 1112 O ARG A 77 44.150 92.399 79.235 1.00 0.00 O ATOM 1113 CB ARG A 77 41.875 91.928 81.521 1.00 0.00 C ATOM 1114 CG ARG A 77 41.362 91.984 82.963 1.00 0.00 C ATOM 1115 CD ARG A 77 40.416 90.807 83.215 1.00 0.00 C ATOM 1116 NE ARG A 77 39.205 91.100 82.398 1.00 0.00 N ATOM 1117 CZ ARG A 77 38.372 90.140 82.101 1.00 0.00 C ATOM 1118 NH1 ARG A 77 37.850 89.411 83.049 1.00 0.00 N ATOM 1119 NH2 ARG A 77 38.062 89.908 80.855 1.00 0.00 N ATOM 0 H ARG A 77 42.377 94.205 80.772 1.00 0.00 H new ATOM 0 HA ARG A 77 43.859 92.165 82.382 1.00 0.00 H new ATOM 0 HB2 ARG A 77 41.246 92.542 80.876 1.00 0.00 H new ATOM 0 HB3 ARG A 77 41.818 90.907 81.143 1.00 0.00 H new ATOM 0 HG2 ARG A 77 42.199 91.947 83.660 1.00 0.00 H new ATOM 0 HG3 ARG A 77 40.842 92.926 83.139 1.00 0.00 H new ATOM 0 HD2 ARG A 77 40.873 89.863 82.918 1.00 0.00 H new ATOM 0 HD3 ARG A 77 40.167 90.721 84.273 1.00 0.00 H new ATOM 0 HE ARG A 77 39.027 92.050 82.071 1.00 0.00 H new ATOM 0 HH11 ARG A 77 38.093 89.591 84.023 1.00 0.00 H new ATOM 0 HH12 ARG A 77 37.199 88.661 82.816 1.00 0.00 H new ATOM 0 HH21 ARG A 77 38.471 90.477 80.113 1.00 0.00 H new ATOM 0 HH22 ARG A 77 37.411 89.158 80.623 1.00 0.00 H new ATOM 1133 N PRO A 78 44.606 90.616 80.497 1.00 23.86 N ATOM 1134 CA PRO A 78 45.357 89.966 79.378 1.00 24.22 C ATOM 1135 C PRO A 78 44.492 89.868 78.112 1.00 24.36 C ATOM 1136 O PRO A 78 43.376 89.387 78.140 1.00 22.27 O ATOM 1137 CB PRO A 78 45.707 88.583 79.913 1.00 25.39 C ATOM 1138 CG PRO A 78 44.679 88.306 80.954 1.00 27.04 C ATOM 1139 CD PRO A 78 44.301 89.634 81.555 1.00 25.13 C ATOM 0 HA PRO A 78 46.241 90.534 79.087 1.00 24.22 H new ATOM 0 HB2 PRO A 78 45.680 87.834 79.121 1.00 25.39 H new ATOM 0 HB3 PRO A 78 46.712 88.565 80.335 1.00 25.39 H new ATOM 0 HG2 PRO A 78 43.808 87.817 80.517 1.00 27.04 H new ATOM 0 HG3 PRO A 78 45.072 87.634 81.717 1.00 27.04 H new ATOM 0 HD2 PRO A 78 43.246 89.660 81.829 1.00 25.13 H new ATOM 0 HD3 PRO A 78 44.871 89.837 82.462 1.00 25.13 H new ATOM 1147 N GLY A 79 45.022 90.316 77.001 1.00 24.74 N ATOM 1148 CA GLY A 79 44.266 90.252 75.714 1.00 23.79 C ATOM 1149 C GLY A 79 43.417 91.517 75.509 1.00 23.44 C ATOM 1150 O GLY A 79 43.017 91.818 74.400 1.00 22.44 O ATOM 0 H GLY A 79 45.953 90.726 76.931 1.00 24.74 H new ATOM 0 HA2 GLY A 79 44.963 90.140 74.884 1.00 23.79 H new ATOM 0 HA3 GLY A 79 43.622 89.373 75.710 1.00 23.79 H new ATOM 1154 N GLU A 80 43.140 92.261 76.555 1.00 23.31 N ATOM 1155 CA GLU A 80 42.320 93.504 76.398 1.00 21.90 C ATOM 1156 C GLU A 80 43.220 94.707 76.096 1.00 20.95 C ATOM 1157 O GLU A 80 44.426 94.643 76.243 1.00 19.52 O ATOM 1158 CB GLU A 80 41.598 93.685 77.733 1.00 23.06 C ATOM 1159 CG GLU A 80 40.462 92.665 77.840 1.00 23.88 C ATOM 1160 CD GLU A 80 39.605 92.971 79.072 1.00 27.44 C ATOM 1161 OE1 GLU A 80 39.507 94.135 79.430 1.00 25.91 O ATOM 1162 OE2 GLU A 80 39.057 92.038 79.634 1.00 29.38 O ATOM 0 H GLU A 80 43.446 92.061 77.507 1.00 23.31 H new ATOM 0 HA GLU A 80 41.617 93.426 75.569 1.00 21.90 H new ATOM 0 HB2 GLU A 80 42.298 93.554 78.558 1.00 23.06 H new ATOM 0 HB3 GLU A 80 41.201 94.697 77.810 1.00 23.06 H new ATOM 0 HG2 GLU A 80 39.847 92.696 76.941 1.00 23.88 H new ATOM 0 HG3 GLU A 80 40.871 91.657 77.911 1.00 23.88 H new ATOM 1169 N ALA A 81 42.638 95.801 75.666 1.00 0.00 N ATOM 1170 CA ALA A 81 43.447 97.012 75.342 1.00 0.00 C ATOM 1171 C ALA A 81 42.653 98.286 75.660 1.00 0.00 C ATOM 1172 O ALA A 81 41.440 98.311 75.573 1.00 0.00 O ATOM 1173 CB ALA A 81 43.731 96.914 73.843 1.00 0.00 C ATOM 0 H ALA A 81 41.633 95.905 75.526 1.00 0.00 H new ATOM 0 HA ALA A 81 44.366 97.060 75.927 1.00 0.00 H new ATOM 0 HB1 ALA A 81 44.324 97.773 73.528 1.00 0.00 H new ATOM 0 HB2 ALA A 81 44.282 95.997 73.636 1.00 0.00 H new ATOM 0 HB3 ALA A 81 42.789 96.903 73.294 1.00 0.00 H new ATOM 1179 N PHE A 82 43.335 99.346 76.016 1.00 18.56 N ATOM 1180 CA PHE A 82 42.641 100.632 76.328 1.00 17.00 C ATOM 1181 C PHE A 82 43.089 101.703 75.327 1.00 16.61 C ATOM 1182 O PHE A 82 44.211 101.677 74.858 1.00 15.77 O ATOM 1183 CB PHE A 82 43.089 100.991 77.749 1.00 13.41 C ATOM 1184 CG PHE A 82 42.454 102.299 78.166 1.00 12.03 C ATOM 1185 CD1 PHE A 82 43.109 103.509 77.907 1.00 12.24 C ATOM 1186 CD2 PHE A 82 41.208 102.299 78.806 1.00 10.24 C ATOM 1187 CE1 PHE A 82 42.517 104.720 78.288 1.00 8.77 C ATOM 1188 CE2 PHE A 82 40.619 103.510 79.187 1.00 10.01 C ATOM 1189 CZ PHE A 82 41.273 104.720 78.927 1.00 9.06 C ATOM 0 H PHE A 82 44.351 99.375 76.104 1.00 18.56 H new ATOM 0 HA PHE A 82 41.556 100.557 76.260 1.00 17.00 H new ATOM 0 HB2 PHE A 82 42.804 100.199 78.442 1.00 13.41 H new ATOM 0 HB3 PHE A 82 44.175 101.073 77.789 1.00 13.41 H new ATOM 0 HD1 PHE A 82 44.070 103.509 77.414 1.00 12.24 H new ATOM 0 HD2 PHE A 82 40.702 101.366 79.005 1.00 10.24 H new ATOM 0 HE1 PHE A 82 43.021 105.654 78.088 1.00 8.77 H new ATOM 0 HE2 PHE A 82 39.659 103.511 79.682 1.00 10.01 H new ATOM 0 HZ PHE A 82 40.817 105.654 79.220 1.00 9.06 H new ATOM 1199 N HIS A 83 42.232 102.637 74.989 1.00 0.00 N ATOM 1200 CA HIS A 83 42.637 103.694 74.010 1.00 0.00 C ATOM 1201 C HIS A 83 42.007 105.048 74.361 1.00 0.00 C ATOM 1202 O HIS A 83 40.851 105.130 74.730 1.00 0.00 O ATOM 1203 CB HIS A 83 42.132 103.196 72.649 1.00 0.00 C ATOM 1204 CG HIS A 83 40.638 102.999 72.690 1.00 0.00 C ATOM 1205 ND1 HIS A 83 39.749 104.011 72.360 1.00 0.00 N ATOM 1206 CD2 HIS A 83 39.864 101.914 73.019 1.00 0.00 C ATOM 1207 CE1 HIS A 83 38.504 103.517 72.497 1.00 0.00 C ATOM 1208 NE2 HIS A 83 38.517 102.243 72.896 1.00 0.00 N ATOM 0 H HIS A 83 41.279 102.713 75.345 1.00 0.00 H new ATOM 0 HA HIS A 83 43.715 103.852 74.014 1.00 0.00 H new ATOM 0 HB2 HIS A 83 42.390 103.915 71.872 1.00 0.00 H new ATOM 0 HB3 HIS A 83 42.623 102.258 72.391 1.00 0.00 H new ATOM 0 HD2 HIS A 83 40.243 100.951 73.327 1.00 0.00 H new ATOM 0 HE1 HIS A 83 37.604 104.083 72.307 1.00 0.00 H new ATOM 0 HE2 HIS A 83 37.713 101.641 73.073 1.00 0.00 H new ATOM 1216 N TYR A 84 42.760 106.113 74.221 1.00 21.96 N ATOM 1217 CA TYR A 84 42.216 107.474 74.514 1.00 22.81 C ATOM 1218 C TYR A 84 42.929 108.516 73.637 1.00 25.11 C ATOM 1219 O TYR A 84 44.003 108.269 73.123 1.00 26.65 O ATOM 1220 CB TYR A 84 42.458 107.714 76.016 1.00 19.35 C ATOM 1221 CG TYR A 84 43.933 107.899 76.319 1.00 16.39 C ATOM 1222 CD1 TYR A 84 44.740 106.789 76.595 1.00 12.01 C ATOM 1223 CD2 TYR A 84 44.484 109.186 76.338 1.00 15.59 C ATOM 1224 CE1 TYR A 84 46.098 106.965 76.888 1.00 9.20 C ATOM 1225 CE2 TYR A 84 45.841 109.363 76.633 1.00 14.00 C ATOM 1226 CZ TYR A 84 46.650 108.251 76.908 1.00 12.19 C ATOM 1227 OH TYR A 84 47.990 108.422 77.206 1.00 13.46 O ATOM 0 H TYR A 84 43.733 106.096 73.915 1.00 21.96 H new ATOM 0 HA TYR A 84 41.153 107.557 74.289 1.00 22.81 H new ATOM 0 HB2 TYR A 84 41.906 108.597 76.338 1.00 19.35 H new ATOM 0 HB3 TYR A 84 42.071 106.870 76.587 1.00 19.35 H new ATOM 0 HD1 TYR A 84 44.315 105.796 76.582 1.00 12.01 H new ATOM 0 HD2 TYR A 84 43.862 110.043 76.125 1.00 15.59 H new ATOM 0 HE1 TYR A 84 46.720 106.108 77.099 1.00 9.20 H new ATOM 0 HE2 TYR A 84 46.265 110.356 76.649 1.00 14.00 H new ATOM 0 HH TYR A 84 48.213 109.376 77.176 1.00 13.46 H new ATOM 1237 N THR A 85 42.335 109.670 73.456 1.00 26.58 N ATOM 1238 CA THR A 85 42.975 110.719 72.603 1.00 26.99 C ATOM 1239 C THR A 85 43.625 111.803 73.468 1.00 28.14 C ATOM 1240 O THR A 85 43.059 112.254 74.445 1.00 27.02 O ATOM 1241 CB THR A 85 41.831 111.308 71.776 1.00 26.65 C ATOM 1242 OG1 THR A 85 41.182 110.265 71.059 1.00 25.06 O ATOM 1243 CG2 THR A 85 42.386 112.337 70.791 1.00 21.76 C ATOM 0 H THR A 85 41.436 109.931 73.861 1.00 26.58 H new ATOM 0 HA THR A 85 43.766 110.307 71.977 1.00 26.99 H new ATOM 0 HB THR A 85 41.116 111.794 72.440 1.00 26.65 H new ATOM 0 HG1 THR A 85 40.447 110.640 70.530 1.00 25.06 H new ATOM 0 HG21 THR A 85 41.569 112.755 70.203 1.00 21.76 H new ATOM 0 HG22 THR A 85 42.883 113.136 71.341 1.00 21.76 H new ATOM 0 HG23 THR A 85 43.102 111.855 70.126 1.00 21.76 H new ATOM 1251 N SER A 86 44.814 112.222 73.109 1.00 29.06 N ATOM 1252 CA SER A 86 45.516 113.278 73.899 1.00 29.05 C ATOM 1253 C SER A 86 45.916 114.443 72.983 1.00 29.43 C ATOM 1254 O SER A 86 45.842 114.331 71.769 1.00 29.12 O ATOM 1255 CB SER A 86 46.758 112.589 74.449 1.00 29.12 C ATOM 1256 OG SER A 86 47.614 113.568 75.021 1.00 33.88 O ATOM 0 H SER A 86 45.329 111.876 72.300 1.00 29.06 H new ATOM 0 HA SER A 86 44.889 113.692 74.689 1.00 29.05 H new ATOM 0 HB2 SER A 86 46.477 111.849 75.199 1.00 29.12 H new ATOM 0 HB3 SER A 86 47.276 112.055 73.653 1.00 29.12 H new ATOM 0 HG SER A 86 48.484 113.546 74.570 1.00 33.88 H new ATOM 1262 N GLY A 87 46.353 115.548 73.540 1.00 29.08 N ATOM 1263 CA GLY A 87 46.760 116.703 72.682 1.00 29.89 C ATOM 1264 C GLY A 87 48.004 117.389 73.262 1.00 31.80 C ATOM 1265 O GLY A 87 48.018 117.814 74.401 1.00 31.40 O ATOM 0 H GLY A 87 46.445 115.698 74.545 1.00 29.08 H new ATOM 0 HA2 GLY A 87 46.967 116.357 71.669 1.00 29.89 H new ATOM 0 HA3 GLY A 87 45.941 117.419 72.613 1.00 29.89 H new ATOM 1269 N VAL A 88 49.039 117.510 72.470 1.00 0.00 N ATOM 1270 CA VAL A 88 50.292 118.181 72.940 1.00 0.00 C ATOM 1271 C VAL A 88 50.712 119.244 71.916 1.00 0.00 C ATOM 1272 O VAL A 88 50.434 119.124 70.737 1.00 0.00 O ATOM 1273 CB VAL A 88 51.342 117.062 73.039 1.00 0.00 C ATOM 1274 CG1 VAL A 88 52.717 117.655 73.374 1.00 0.00 C ATOM 1275 CG2 VAL A 88 50.942 116.085 74.146 1.00 0.00 C ATOM 0 H VAL A 88 49.071 117.170 71.509 1.00 0.00 H new ATOM 0 HA VAL A 88 50.167 118.686 73.898 1.00 0.00 H new ATOM 0 HB VAL A 88 51.395 116.543 72.082 1.00 0.00 H new ATOM 0 HG11 VAL A 88 53.452 116.853 73.442 1.00 0.00 H new ATOM 0 HG12 VAL A 88 53.013 118.353 72.591 1.00 0.00 H new ATOM 0 HG13 VAL A 88 52.664 118.180 74.328 1.00 0.00 H new ATOM 0 HG21 VAL A 88 51.686 115.291 74.217 1.00 0.00 H new ATOM 0 HG22 VAL A 88 50.886 116.615 75.097 1.00 0.00 H new ATOM 0 HG23 VAL A 88 49.969 115.651 73.914 1.00 0.00 H new ATOM 1285 N LEU A 89 51.370 120.285 72.362 1.00 0.00 N ATOM 1286 CA LEU A 89 51.799 121.363 71.418 1.00 0.00 C ATOM 1287 C LEU A 89 53.322 121.359 71.246 1.00 0.00 C ATOM 1288 O LEU A 89 54.061 121.100 72.176 1.00 0.00 O ATOM 1289 CB LEU A 89 51.340 122.667 72.074 1.00 0.00 C ATOM 1290 CG LEU A 89 49.816 122.664 72.208 1.00 0.00 C ATOM 1291 CD1 LEU A 89 49.387 123.761 73.183 1.00 0.00 C ATOM 1292 CD2 LEU A 89 49.185 122.926 70.838 1.00 0.00 C ATOM 0 H LEU A 89 51.628 120.435 73.337 1.00 0.00 H new ATOM 0 HA LEU A 89 51.372 121.228 70.424 1.00 0.00 H new ATOM 0 HB2 LEU A 89 51.801 122.774 73.056 1.00 0.00 H new ATOM 0 HB3 LEU A 89 51.661 123.520 71.476 1.00 0.00 H new ATOM 0 HG LEU A 89 49.486 121.695 72.583 1.00 0.00 H new ATOM 0 HD11 LEU A 89 48.301 123.759 73.278 1.00 0.00 H new ATOM 0 HD12 LEU A 89 49.837 123.577 74.158 1.00 0.00 H new ATOM 0 HD13 LEU A 89 49.716 124.730 72.808 1.00 0.00 H new ATOM 0 HD21 LEU A 89 48.099 122.924 70.931 1.00 0.00 H new ATOM 0 HD22 LEU A 89 49.516 123.895 70.465 1.00 0.00 H new ATOM 0 HD23 LEU A 89 49.491 122.145 70.141 1.00 0.00 H new ATOM 1304 N LEU A 90 53.789 121.644 70.056 1.00 37.85 N ATOM 1305 CA LEU A 90 55.263 121.660 69.807 1.00 36.74 C ATOM 1306 C LEU A 90 55.690 123.036 69.286 1.00 35.30 C ATOM 1307 O LEU A 90 54.948 123.693 68.581 1.00 35.10 O ATOM 1308 CB LEU A 90 55.496 120.588 68.742 1.00 38.41 C ATOM 1309 CG LEU A 90 55.194 119.209 69.333 1.00 38.68 C ATOM 1310 CD1 LEU A 90 55.263 118.148 68.229 1.00 37.80 C ATOM 1311 CD2 LEU A 90 56.221 118.886 70.421 1.00 38.08 C ATOM 0 H LEU A 90 53.212 121.867 69.245 1.00 37.85 H new ATOM 0 HA LEU A 90 55.840 121.466 70.711 1.00 36.74 H new ATOM 0 HB2 LEU A 90 54.857 120.773 67.878 1.00 38.41 H new ATOM 0 HB3 LEU A 90 56.527 120.627 68.390 1.00 38.41 H new ATOM 0 HG LEU A 90 54.194 119.211 69.766 1.00 38.68 H new ATOM 0 HD11 LEU A 90 55.048 117.167 68.653 1.00 37.80 H new ATOM 0 HD12 LEU A 90 54.529 118.379 67.456 1.00 37.80 H new ATOM 0 HD13 LEU A 90 56.261 118.143 67.791 1.00 37.80 H new ATOM 0 HD21 LEU A 90 56.007 117.904 70.843 1.00 38.08 H new ATOM 0 HD22 LEU A 90 57.221 118.885 69.988 1.00 38.08 H new ATOM 0 HD23 LEU A 90 56.167 119.639 71.208 1.00 38.08 H new ATOM 1323 N GLU A 91 56.873 123.481 69.633 1.00 0.00 N ATOM 1324 CA GLU A 91 57.340 124.821 69.159 1.00 0.00 C ATOM 1325 C GLU A 91 57.699 124.776 67.669 1.00 0.00 C ATOM 1326 O GLU A 91 57.647 125.781 66.985 1.00 0.00 O ATOM 1327 CB GLU A 91 58.582 125.132 69.999 1.00 0.00 C ATOM 1328 CG GLU A 91 59.105 126.529 69.647 1.00 0.00 C ATOM 1329 CD GLU A 91 60.351 126.853 70.483 1.00 0.00 C ATOM 1330 OE1 GLU A 91 60.534 126.227 71.517 1.00 0.00 O ATOM 1331 OE2 GLU A 91 61.098 127.727 70.077 1.00 0.00 O ATOM 0 H GLU A 91 57.534 122.975 70.223 1.00 0.00 H new ATOM 0 HA GLU A 91 56.567 125.582 69.271 1.00 0.00 H new ATOM 0 HB2 GLU A 91 58.338 125.081 71.060 1.00 0.00 H new ATOM 0 HB3 GLU A 91 59.355 124.386 69.814 1.00 0.00 H new ATOM 0 HG2 GLU A 91 59.347 126.578 68.585 1.00 0.00 H new ATOM 0 HG3 GLU A 91 58.330 127.273 69.832 1.00 0.00 H new ATOM 1338 N THR A 92 58.064 123.623 67.164 1.00 31.63 N ATOM 1339 CA THR A 92 58.429 123.522 65.716 1.00 28.98 C ATOM 1340 C THR A 92 57.569 122.464 65.015 1.00 28.33 C ATOM 1341 O THR A 92 56.804 121.757 65.642 1.00 29.20 O ATOM 1342 CB THR A 92 59.910 123.123 65.696 1.00 29.53 C ATOM 1343 OG1 THR A 92 60.340 122.983 64.351 1.00 29.23 O ATOM 1344 CG2 THR A 92 60.106 121.797 66.438 1.00 25.50 C ATOM 0 H THR A 92 58.125 122.751 67.689 1.00 31.63 H new ATOM 0 HA THR A 92 58.258 124.460 65.188 1.00 28.98 H new ATOM 0 HB THR A 92 60.497 123.896 66.191 1.00 29.53 H new ATOM 0 HG1 THR A 92 61.287 122.730 64.335 1.00 29.23 H new ATOM 0 HG21 THR A 92 61.160 121.522 66.419 1.00 25.50 H new ATOM 0 HG22 THR A 92 59.779 121.907 67.472 1.00 25.50 H new ATOM 0 HG23 THR A 92 59.519 121.018 65.952 1.00 25.50 H new ATOM 1352 N GLU A 93 57.684 122.368 63.714 1.00 0.00 N ATOM 1353 CA GLU A 93 56.869 121.375 62.951 1.00 0.00 C ATOM 1354 C GLU A 93 57.546 119.996 62.916 1.00 0.00 C ATOM 1355 O GLU A 93 57.120 119.118 62.188 1.00 0.00 O ATOM 1356 CB GLU A 93 56.779 121.949 61.537 1.00 0.00 C ATOM 1357 CG GLU A 93 55.546 121.378 60.829 1.00 0.00 C ATOM 1358 CD GLU A 93 55.445 121.948 59.408 1.00 0.00 C ATOM 1359 OE1 GLU A 93 56.015 123.000 59.162 1.00 0.00 O ATOM 1360 OE2 GLU A 93 54.796 121.320 58.588 1.00 0.00 O ATOM 0 H GLU A 93 58.311 122.938 63.145 1.00 0.00 H new ATOM 0 HA GLU A 93 55.892 121.225 63.411 1.00 0.00 H new ATOM 0 HB2 GLU A 93 56.716 123.036 61.578 1.00 0.00 H new ATOM 0 HB3 GLU A 93 57.680 121.703 60.975 1.00 0.00 H new ATOM 0 HG2 GLU A 93 55.610 120.291 60.790 1.00 0.00 H new ATOM 0 HG3 GLU A 93 54.646 121.624 61.393 1.00 0.00 H new ATOM 1367 N GLN A 94 58.588 119.791 63.689 1.00 0.00 N ATOM 1368 CA GLN A 94 59.269 118.460 63.681 1.00 0.00 C ATOM 1369 C GLN A 94 59.715 118.093 65.101 1.00 0.00 C ATOM 1370 O GLN A 94 60.016 118.968 65.893 1.00 0.00 O ATOM 1371 CB GLN A 94 60.484 118.634 62.760 1.00 0.00 C ATOM 1372 CG GLN A 94 61.386 119.757 63.283 1.00 0.00 C ATOM 1373 CD GLN A 94 62.614 119.889 62.379 1.00 0.00 C ATOM 1374 OE1 GLN A 94 63.017 118.937 61.741 1.00 0.00 O ATOM 1375 NE2 GLN A 94 63.228 121.037 62.297 1.00 0.00 N ATOM 0 H GLN A 94 58.992 120.483 64.320 1.00 0.00 H new ATOM 0 HA GLN A 94 58.613 117.661 63.335 1.00 0.00 H new ATOM 0 HB2 GLN A 94 61.046 117.701 62.706 1.00 0.00 H new ATOM 0 HB3 GLN A 94 60.152 118.865 61.748 1.00 0.00 H new ATOM 0 HG2 GLN A 94 60.836 120.698 63.307 1.00 0.00 H new ATOM 0 HG3 GLN A 94 61.696 119.543 64.306 1.00 0.00 H new ATOM 0 HE21 GLN A 94 62.889 121.836 62.833 1.00 0.00 H new ATOM 0 HE22 GLN A 94 64.047 121.136 61.697 1.00 0.00 H new ATOM 1384 N GLY A 95 59.772 116.823 65.438 1.00 27.89 N ATOM 1385 CA GLY A 95 60.214 116.462 66.820 1.00 28.05 C ATOM 1386 C GLY A 95 60.109 114.957 67.088 1.00 27.70 C ATOM 1387 O GLY A 95 59.470 114.218 66.367 1.00 25.89 O ATOM 0 H GLY A 95 59.537 116.039 64.829 1.00 27.89 H new ATOM 0 HA2 GLY A 95 61.245 116.784 66.965 1.00 28.05 H new ATOM 0 HA3 GLY A 95 59.606 117.002 67.546 1.00 28.05 H new ATOM 1391 N GLN A 96 60.742 114.521 68.148 1.00 0.00 N ATOM 1392 CA GLN A 96 60.711 113.074 68.530 1.00 0.00 C ATOM 1393 C GLN A 96 60.076 112.926 69.917 1.00 0.00 C ATOM 1394 O GLN A 96 60.452 113.613 70.849 1.00 0.00 O ATOM 1395 CB GLN A 96 62.181 112.640 68.593 1.00 0.00 C ATOM 1396 CG GLN A 96 62.874 112.922 67.257 1.00 0.00 C ATOM 1397 CD GLN A 96 64.131 112.058 67.140 1.00 0.00 C ATOM 1398 OE1 GLN A 96 64.852 111.881 68.103 1.00 0.00 O ATOM 1399 NE2 GLN A 96 64.426 111.509 65.994 1.00 0.00 N ATOM 0 H GLN A 96 61.287 115.114 68.774 1.00 0.00 H new ATOM 0 HA GLN A 96 60.135 112.475 67.825 1.00 0.00 H new ATOM 0 HB2 GLN A 96 62.691 113.173 69.395 1.00 0.00 H new ATOM 0 HB3 GLN A 96 62.244 111.577 68.826 1.00 0.00 H new ATOM 0 HG2 GLN A 96 62.195 112.708 66.431 1.00 0.00 H new ATOM 0 HG3 GLN A 96 63.138 113.977 67.188 1.00 0.00 H new ATOM 0 HE21 GLN A 96 63.821 111.658 65.186 1.00 0.00 H new ATOM 0 HE22 GLN A 96 65.262 110.931 65.906 1.00 0.00 H new ATOM 1408 N MET A 97 59.113 112.050 70.062 1.00 0.00 N ATOM 1409 CA MET A 97 58.452 111.880 71.392 1.00 0.00 C ATOM 1410 C MET A 97 58.503 110.416 71.850 1.00 0.00 C ATOM 1411 O MET A 97 57.917 109.545 71.237 1.00 0.00 O ATOM 1412 CB MET A 97 57.003 112.322 71.164 1.00 0.00 C ATOM 1413 CG MET A 97 56.209 112.201 72.467 1.00 0.00 C ATOM 1414 SD MET A 97 54.499 112.726 72.187 1.00 0.00 S ATOM 1415 CE MET A 97 54.753 114.492 72.478 1.00 0.00 C ATOM 0 H MET A 97 58.757 111.447 69.320 1.00 0.00 H new ATOM 0 HA MET A 97 58.947 112.460 72.171 1.00 0.00 H new ATOM 0 HB2 MET A 97 56.980 113.352 70.808 1.00 0.00 H new ATOM 0 HB3 MET A 97 56.544 111.707 70.390 1.00 0.00 H new ATOM 0 HG2 MET A 97 56.230 111.171 72.823 1.00 0.00 H new ATOM 0 HG3 MET A 97 56.667 112.816 73.242 1.00 0.00 H new ATOM 0 HE1 MET A 97 54.105 115.067 71.816 1.00 0.00 H new ATOM 0 HE2 MET A 97 54.513 114.728 73.515 1.00 0.00 H new ATOM 0 HE3 MET A 97 55.794 114.748 72.279 1.00 0.00 H new ATOM 1425 N GLN A 98 59.180 110.147 72.939 1.00 0.00 N ATOM 1426 CA GLN A 98 59.262 108.756 73.476 1.00 0.00 C ATOM 1427 C GLN A 98 58.897 108.800 74.960 1.00 0.00 C ATOM 1428 O GLN A 98 59.113 109.806 75.613 1.00 0.00 O ATOM 1429 CB GLN A 98 60.725 108.349 73.301 1.00 0.00 C ATOM 1430 CG GLN A 98 60.890 106.870 73.656 1.00 0.00 C ATOM 1431 CD GLN A 98 62.355 106.460 73.484 1.00 0.00 C ATOM 1432 OE1 GLN A 98 63.094 107.088 72.751 1.00 0.00 O ATOM 1433 NE2 GLN A 98 62.810 105.423 74.134 1.00 0.00 N ATOM 0 H GLN A 98 59.686 110.844 73.486 1.00 0.00 H new ATOM 0 HA GLN A 98 58.593 108.056 72.975 1.00 0.00 H new ATOM 0 HB2 GLN A 98 61.042 108.525 72.273 1.00 0.00 H new ATOM 0 HB3 GLN A 98 61.362 108.960 73.940 1.00 0.00 H new ATOM 0 HG2 GLN A 98 60.571 106.695 74.683 1.00 0.00 H new ATOM 0 HG3 GLN A 98 60.253 106.259 73.016 1.00 0.00 H new ATOM 0 HE21 GLN A 98 62.191 104.895 74.749 1.00 0.00 H new ATOM 0 HE22 GLN A 98 63.784 105.141 74.026 1.00 0.00 H new ATOM 1442 N GLY A 99 58.337 107.744 75.509 1.00 29.62 N ATOM 1443 CA GLY A 99 57.967 107.797 76.961 1.00 28.62 C ATOM 1444 C GLY A 99 57.750 106.396 77.524 1.00 28.62 C ATOM 1445 O GLY A 99 57.850 105.410 76.824 1.00 29.22 O ATOM 0 H GLY A 99 58.125 106.870 75.028 1.00 29.62 H new ATOM 0 HA2 GLY A 99 58.755 108.300 77.522 1.00 28.62 H new ATOM 0 HA3 GLY A 99 57.059 108.387 77.087 1.00 28.62 H new ATOM 1449 N HIS A 100 57.450 106.310 78.798 1.00 0.00 N ATOM 1450 CA HIS A 100 57.217 104.980 79.429 1.00 0.00 C ATOM 1451 C HIS A 100 55.963 105.031 80.311 1.00 0.00 C ATOM 1452 O HIS A 100 55.583 106.074 80.807 1.00 0.00 O ATOM 1453 CB HIS A 100 58.457 104.713 80.287 1.00 0.00 C ATOM 1454 CG HIS A 100 59.621 104.335 79.414 1.00 0.00 C ATOM 1455 ND1 HIS A 100 60.259 105.251 78.591 1.00 0.00 N ATOM 1456 CD2 HIS A 100 60.283 103.147 79.235 1.00 0.00 C ATOM 1457 CE1 HIS A 100 61.255 104.603 77.959 1.00 0.00 C ATOM 1458 NE2 HIS A 100 61.313 103.316 78.315 1.00 0.00 N ATOM 0 H HIS A 100 57.357 107.108 79.427 1.00 0.00 H new ATOM 0 HA HIS A 100 57.062 104.197 78.687 1.00 0.00 H new ATOM 0 HB2 HIS A 100 58.703 105.601 80.869 1.00 0.00 H new ATOM 0 HB3 HIS A 100 58.251 103.913 80.998 1.00 0.00 H new ATOM 0 HD2 HIS A 100 60.041 102.220 79.733 1.00 0.00 H new ATOM 0 HE1 HIS A 100 61.926 105.066 77.251 1.00 0.00 H new ATOM 0 HE2 HIS A 100 61.970 102.610 77.984 1.00 0.00 H new ATOM 1466 N TYR A 101 55.326 103.907 80.508 1.00 25.77 N ATOM 1467 CA TYR A 101 54.097 103.866 81.359 1.00 25.79 C ATOM 1468 C TYR A 101 54.337 102.963 82.568 1.00 26.52 C ATOM 1469 O TYR A 101 54.722 101.820 82.415 1.00 27.05 O ATOM 1470 CB TYR A 101 52.999 103.271 80.467 1.00 24.67 C ATOM 1471 CG TYR A 101 52.331 104.347 79.631 1.00 23.27 C ATOM 1472 CD1 TYR A 101 51.961 105.575 80.204 1.00 20.31 C ATOM 1473 CD2 TYR A 101 52.074 104.106 78.276 1.00 23.52 C ATOM 1474 CE1 TYR A 101 51.336 106.552 79.422 1.00 23.58 C ATOM 1475 CE2 TYR A 101 51.450 105.087 77.495 1.00 24.17 C ATOM 1476 CZ TYR A 101 51.081 106.309 78.068 1.00 23.58 C ATOM 1477 OH TYR A 101 50.462 107.274 77.299 1.00 25.91 O ATOM 0 H TYR A 101 55.605 103.009 80.114 1.00 25.77 H new ATOM 0 HA TYR A 101 53.824 104.853 81.732 1.00 25.79 H new ATOM 0 HB2 TYR A 101 53.429 102.513 79.813 1.00 24.67 H new ATOM 0 HB3 TYR A 101 52.254 102.772 81.086 1.00 24.67 H new ATOM 0 HD1 TYR A 101 52.159 105.765 81.249 1.00 20.31 H new ATOM 0 HD2 TYR A 101 52.357 103.163 77.833 1.00 23.52 H new ATOM 0 HE1 TYR A 101 51.050 107.495 79.864 1.00 23.58 H new ATOM 0 HE2 TYR A 101 51.253 104.900 76.450 1.00 24.17 H new ATOM 0 HH TYR A 101 49.534 107.381 77.594 1.00 25.91 H new ATOM 1487 N ASP A 102 54.086 103.436 83.765 1.00 0.00 N ATOM 1488 CA ASP A 102 54.276 102.563 84.961 1.00 0.00 C ATOM 1489 C ASP A 102 53.050 101.663 85.122 1.00 0.00 C ATOM 1490 O ASP A 102 51.930 102.122 85.239 1.00 0.00 O ATOM 1491 CB ASP A 102 54.434 103.511 86.151 1.00 0.00 C ATOM 1492 CG ASP A 102 54.859 102.717 87.388 1.00 0.00 C ATOM 1493 OD1 ASP A 102 54.452 101.574 87.506 1.00 0.00 O ATOM 1494 OD2 ASP A 102 55.587 103.268 88.199 1.00 0.00 O ATOM 0 H ASP A 102 53.760 104.382 83.963 1.00 0.00 H new ATOM 0 HA ASP A 102 55.147 101.913 84.874 1.00 0.00 H new ATOM 0 HB2 ASP A 102 55.178 104.275 85.924 1.00 0.00 H new ATOM 0 HB3 ASP A 102 53.494 104.028 86.344 1.00 0.00 H new ATOM 1499 N MET A 103 53.275 100.377 85.117 1.00 0.00 N ATOM 1500 CA MET A 103 52.159 99.399 85.254 1.00 0.00 C ATOM 1501 C MET A 103 52.391 98.505 86.473 1.00 0.00 C ATOM 1502 O MET A 103 53.502 98.378 86.957 1.00 0.00 O ATOM 1503 CB MET A 103 52.226 98.569 83.972 1.00 0.00 C ATOM 1504 CG MET A 103 50.846 97.983 83.662 1.00 0.00 C ATOM 1505 SD MET A 103 49.881 99.184 82.710 1.00 0.00 S ATOM 1506 CE MET A 103 50.939 99.218 81.243 1.00 0.00 C ATOM 0 H MET A 103 54.200 99.957 85.022 1.00 0.00 H new ATOM 0 HA MET A 103 51.191 99.882 85.391 1.00 0.00 H new ATOM 0 HB2 MET A 103 52.562 99.191 83.142 1.00 0.00 H new ATOM 0 HB3 MET A 103 52.955 97.767 84.085 1.00 0.00 H new ATOM 0 HG2 MET A 103 50.951 97.056 83.098 1.00 0.00 H new ATOM 0 HG3 MET A 103 50.327 97.736 84.588 1.00 0.00 H new ATOM 0 HE1 MET A 103 50.320 99.167 80.347 1.00 0.00 H new ATOM 0 HE2 MET A 103 51.517 100.142 81.233 1.00 0.00 H new ATOM 0 HE3 MET A 103 51.618 98.365 81.264 1.00 0.00 H new ATOM 1516 N VAL A 104 51.352 97.884 86.972 1.00 21.01 N ATOM 1517 CA VAL A 104 51.510 96.994 88.163 1.00 21.69 C ATOM 1518 C VAL A 104 50.640 95.744 88.010 1.00 22.60 C ATOM 1519 O VAL A 104 49.455 95.833 87.747 1.00 22.32 O ATOM 1520 CB VAL A 104 51.041 97.817 89.375 1.00 22.67 C ATOM 1521 CG1 VAL A 104 52.076 98.897 89.691 1.00 23.22 C ATOM 1522 CG2 VAL A 104 49.680 98.471 89.094 1.00 23.28 C ATOM 0 H VAL A 104 50.402 97.955 86.607 1.00 21.01 H new ATOM 0 HA VAL A 104 52.542 96.663 88.278 1.00 21.69 H new ATOM 0 HB VAL A 104 50.934 97.149 90.230 1.00 22.67 H new ATOM 0 HG11 VAL A 104 51.743 99.480 90.550 1.00 23.22 H new ATOM 0 HG12 VAL A 104 53.033 98.428 89.920 1.00 23.22 H new ATOM 0 HG13 VAL A 104 52.191 99.554 88.829 1.00 23.22 H new ATOM 0 HG21 VAL A 104 49.367 99.048 89.964 1.00 23.28 H new ATOM 0 HG22 VAL A 104 49.765 99.132 88.232 1.00 23.28 H new ATOM 0 HG23 VAL A 104 48.941 97.698 88.887 1.00 23.28 H new ATOM 1532 N ALA A 105 51.216 94.584 88.190 1.00 0.00 N ATOM 1533 CA ALA A 105 50.423 93.322 88.075 1.00 0.00 C ATOM 1534 C ALA A 105 49.517 93.172 89.297 1.00 0.00 C ATOM 1535 O ALA A 105 49.668 93.879 90.276 1.00 0.00 O ATOM 1536 CB ALA A 105 51.460 92.198 88.037 1.00 0.00 C ATOM 0 H ALA A 105 52.203 94.455 88.412 1.00 0.00 H new ATOM 0 HA ALA A 105 49.784 93.310 87.192 1.00 0.00 H new ATOM 0 HB1 ALA A 105 50.952 91.237 87.953 1.00 0.00 H new ATOM 0 HB2 ALA A 105 52.117 92.338 87.178 1.00 0.00 H new ATOM 0 HB3 ALA A 105 52.051 92.217 88.953 1.00 0.00 H new ATOM 1542 N ASP A 106 48.575 92.264 89.245 1.00 0.00 N ATOM 1543 CA ASP A 106 47.655 92.079 90.411 1.00 0.00 C ATOM 1544 C ASP A 106 48.448 91.601 91.632 1.00 0.00 C ATOM 1545 O ASP A 106 48.084 91.873 92.761 1.00 0.00 O ATOM 1546 CB ASP A 106 46.653 91.010 89.969 1.00 0.00 C ATOM 1547 CG ASP A 106 45.518 90.912 90.992 1.00 0.00 C ATOM 1548 OD1 ASP A 106 45.781 91.132 92.165 1.00 0.00 O ATOM 1549 OD2 ASP A 106 44.406 90.618 90.588 1.00 0.00 O ATOM 0 H ASP A 106 48.403 91.646 88.452 1.00 0.00 H new ATOM 0 HA ASP A 106 47.156 93.006 90.694 1.00 0.00 H new ATOM 0 HB2 ASP A 106 46.250 91.259 88.987 1.00 0.00 H new ATOM 0 HB3 ASP A 106 47.153 90.046 89.873 1.00 0.00 H new ATOM 1554 N ASP A 107 49.522 90.886 91.411 1.00 0.00 N ATOM 1555 CA ASP A 107 50.339 90.379 92.559 1.00 0.00 C ATOM 1556 C ASP A 107 51.118 91.520 93.228 1.00 0.00 C ATOM 1557 O ASP A 107 51.661 91.353 94.303 1.00 0.00 O ATOM 1558 CB ASP A 107 51.307 89.365 91.944 1.00 0.00 C ATOM 1559 CG ASP A 107 50.534 88.120 91.501 1.00 0.00 C ATOM 1560 OD1 ASP A 107 49.558 87.787 92.152 1.00 0.00 O ATOM 1561 OD2 ASP A 107 50.932 87.521 90.514 1.00 0.00 O ATOM 0 H ASP A 107 49.869 90.631 90.487 1.00 0.00 H new ATOM 0 HA ASP A 107 49.712 89.936 93.332 1.00 0.00 H new ATOM 0 HB2 ASP A 107 51.821 89.809 91.091 1.00 0.00 H new ATOM 0 HB3 ASP A 107 52.072 89.091 92.670 1.00 0.00 H new ATOM 1566 N GLY A 108 51.177 92.676 92.608 1.00 30.43 N ATOM 1567 CA GLY A 108 51.921 93.816 93.220 1.00 29.11 C ATOM 1568 C GLY A 108 53.276 94.008 92.522 1.00 29.35 C ATOM 1569 O GLY A 108 53.976 94.967 92.787 1.00 30.17 O ATOM 0 H GLY A 108 50.742 92.876 91.707 1.00 30.43 H new ATOM 0 HA2 GLY A 108 51.331 94.729 93.139 1.00 29.11 H new ATOM 0 HA3 GLY A 108 52.075 93.629 94.283 1.00 29.11 H new ATOM 1573 N THR A 109 53.658 93.111 91.637 1.00 0.00 N ATOM 1574 CA THR A 109 54.976 93.262 90.936 1.00 0.00 C ATOM 1575 C THR A 109 55.029 94.606 90.201 1.00 0.00 C ATOM 1576 O THR A 109 54.074 95.002 89.558 1.00 0.00 O ATOM 1577 CB THR A 109 55.035 92.104 89.936 1.00 0.00 C ATOM 1578 OG1 THR A 109 54.788 90.880 90.616 1.00 0.00 O ATOM 1579 CG2 THR A 109 56.419 92.059 89.285 1.00 0.00 C ATOM 0 H THR A 109 53.117 92.287 91.372 1.00 0.00 H new ATOM 0 HA THR A 109 55.816 93.241 91.630 1.00 0.00 H new ATOM 0 HB THR A 109 54.279 92.250 89.165 1.00 0.00 H new ATOM 0 HG1 THR A 109 54.910 90.131 89.996 1.00 0.00 H new ATOM 0 HG21 THR A 109 56.460 91.234 88.573 1.00 0.00 H new ATOM 0 HG22 THR A 109 56.607 92.998 88.764 1.00 0.00 H new ATOM 0 HG23 THR A 109 57.178 91.913 90.054 1.00 0.00 H new ATOM 1587 N GLU A 110 56.128 95.312 90.296 1.00 0.00 N ATOM 1588 CA GLU A 110 56.225 96.634 89.606 1.00 0.00 C ATOM 1589 C GLU A 110 57.038 96.519 88.310 1.00 0.00 C ATOM 1590 O GLU A 110 58.026 95.813 88.241 1.00 0.00 O ATOM 1591 CB GLU A 110 56.911 97.575 90.607 1.00 0.00 C ATOM 1592 CG GLU A 110 58.310 97.056 90.959 1.00 0.00 C ATOM 1593 CD GLU A 110 59.084 98.139 91.714 1.00 0.00 C ATOM 1594 OE1 GLU A 110 58.860 99.306 91.435 1.00 0.00 O ATOM 1595 OE2 GLU A 110 59.887 97.784 92.560 1.00 0.00 O ATOM 0 H GLU A 110 56.958 95.032 90.819 1.00 0.00 H new ATOM 0 HA GLU A 110 55.243 97.008 89.316 1.00 0.00 H new ATOM 0 HB2 GLU A 110 56.984 98.576 90.183 1.00 0.00 H new ATOM 0 HB3 GLU A 110 56.308 97.655 91.512 1.00 0.00 H new ATOM 0 HG2 GLU A 110 58.232 96.157 91.571 1.00 0.00 H new ATOM 0 HG3 GLU A 110 58.845 96.778 90.051 1.00 0.00 H new ATOM 1602 N PHE A 111 56.621 97.218 87.286 1.00 27.41 N ATOM 1603 CA PHE A 111 57.349 97.178 85.983 1.00 27.50 C ATOM 1604 C PHE A 111 56.813 98.275 85.052 1.00 28.03 C ATOM 1605 O PHE A 111 55.658 98.649 85.117 1.00 27.72 O ATOM 1606 CB PHE A 111 57.105 95.767 85.415 1.00 26.12 C ATOM 1607 CG PHE A 111 55.656 95.589 85.013 1.00 24.47 C ATOM 1608 CD1 PHE A 111 54.703 95.217 85.969 1.00 23.96 C ATOM 1609 CD2 PHE A 111 55.271 95.792 83.683 1.00 25.33 C ATOM 1610 CE1 PHE A 111 53.366 95.049 85.593 1.00 24.08 C ATOM 1611 CE2 PHE A 111 53.933 95.624 83.308 1.00 24.17 C ATOM 1612 CZ PHE A 111 52.980 95.253 84.263 1.00 23.73 C ATOM 0 H PHE A 111 55.798 97.821 87.298 1.00 27.41 H new ATOM 0 HA PHE A 111 58.417 97.366 86.093 1.00 27.50 H new ATOM 0 HB2 PHE A 111 57.749 95.602 84.551 1.00 26.12 H new ATOM 0 HB3 PHE A 111 57.374 95.019 86.161 1.00 26.12 H new ATOM 0 HD1 PHE A 111 55.000 95.060 86.995 1.00 23.96 H new ATOM 0 HD2 PHE A 111 56.006 96.078 82.946 1.00 25.33 H new ATOM 0 HE1 PHE A 111 52.631 94.762 86.330 1.00 24.08 H new ATOM 0 HE2 PHE A 111 53.636 95.781 82.281 1.00 24.17 H new ATOM 0 HZ PHE A 111 51.947 95.124 83.974 1.00 23.73 H new ATOM 1622 N ILE A 112 57.657 98.801 84.202 1.00 0.00 N ATOM 1623 CA ILE A 112 57.223 99.890 83.275 1.00 0.00 C ATOM 1624 C ILE A 112 56.971 99.350 81.863 1.00 0.00 C ATOM 1625 O ILE A 112 57.499 98.328 81.471 1.00 0.00 O ATOM 1626 CB ILE A 112 58.375 100.903 83.267 1.00 0.00 C ATOM 1627 CG1 ILE A 112 59.667 100.230 82.784 1.00 0.00 C ATOM 1628 CG2 ILE A 112 58.588 101.448 84.678 1.00 0.00 C ATOM 1629 CD1 ILE A 112 60.670 101.301 82.356 1.00 0.00 C ATOM 0 H ILE A 112 58.634 98.522 84.110 1.00 0.00 H new ATOM 0 HA ILE A 112 56.286 100.340 83.602 1.00 0.00 H new ATOM 0 HB ILE A 112 58.122 101.720 82.591 1.00 0.00 H new ATOM 0 HG12 ILE A 112 60.090 99.618 83.580 1.00 0.00 H new ATOM 0 HG13 ILE A 112 59.452 99.563 81.949 1.00 0.00 H new ATOM 0 HG21 ILE A 112 59.407 102.167 84.670 1.00 0.00 H new ATOM 0 HG22 ILE A 112 57.677 101.939 85.020 1.00 0.00 H new ATOM 0 HG23 ILE A 112 58.833 100.627 85.352 1.00 0.00 H new ATOM 0 HD11 ILE A 112 61.588 100.824 82.013 1.00 0.00 H new ATOM 0 HD12 ILE A 112 60.245 101.895 81.546 1.00 0.00 H new ATOM 0 HD13 ILE A 112 60.893 101.950 83.203 1.00 0.00 H new ATOM 1641 N ALA A 113 56.184 100.058 81.097 1.00 0.00 N ATOM 1642 CA ALA A 113 55.898 99.637 79.696 1.00 0.00 C ATOM 1643 C ALA A 113 56.394 100.738 78.747 1.00 0.00 C ATOM 1644 O ALA A 113 55.713 101.722 78.534 1.00 0.00 O ATOM 1645 CB ALA A 113 54.378 99.488 79.617 1.00 0.00 C ATOM 0 H ALA A 113 55.722 100.920 81.387 1.00 0.00 H new ATOM 0 HA ALA A 113 56.392 98.706 79.417 1.00 0.00 H new ATOM 0 HB1 ALA A 113 54.094 99.179 78.611 1.00 0.00 H new ATOM 0 HB2 ALA A 113 54.048 98.736 80.334 1.00 0.00 H new ATOM 0 HB3 ALA A 113 53.906 100.443 79.850 1.00 0.00 H new ATOM 1651 N PRO A 114 57.585 100.544 78.228 1.00 31.26 N ATOM 1652 CA PRO A 114 58.159 101.580 77.320 1.00 32.26 C ATOM 1653 C PRO A 114 57.267 101.852 76.105 1.00 31.77 C ATOM 1654 O PRO A 114 56.658 100.969 75.535 1.00 33.24 O ATOM 1655 CB PRO A 114 59.496 100.994 76.877 1.00 32.64 C ATOM 1656 CG PRO A 114 59.332 99.523 77.022 1.00 33.31 C ATOM 1657 CD PRO A 114 58.399 99.311 78.179 1.00 32.61 C ATOM 0 HA PRO A 114 58.256 102.540 77.827 1.00 32.26 H new ATOM 0 HB2 PRO A 114 59.726 101.267 75.847 1.00 32.64 H new ATOM 0 HB3 PRO A 114 60.314 101.364 77.495 1.00 32.64 H new ATOM 0 HG2 PRO A 114 58.925 99.086 76.110 1.00 33.31 H new ATOM 0 HG3 PRO A 114 60.293 99.042 77.205 1.00 33.31 H new ATOM 0 HD2 PRO A 114 57.776 98.429 78.030 1.00 32.61 H new ATOM 0 HD3 PRO A 114 58.947 99.160 79.109 1.00 32.61 H new ATOM 1665 N ILE A 115 57.226 103.098 75.710 1.00 30.59 N ATOM 1666 CA ILE A 115 56.423 103.512 74.526 1.00 30.04 C ATOM 1667 C ILE A 115 57.383 103.835 73.383 1.00 30.45 C ATOM 1668 O ILE A 115 58.249 104.687 73.511 1.00 30.15 O ATOM 1669 CB ILE A 115 55.662 104.772 74.956 1.00 29.44 C ATOM 1670 CG1 ILE A 115 54.817 104.471 76.199 1.00 29.23 C ATOM 1671 CG2 ILE A 115 54.743 105.224 73.820 1.00 25.80 C ATOM 1672 CD1 ILE A 115 54.276 105.781 76.776 1.00 28.50 C ATOM 0 H ILE A 115 57.726 103.859 76.169 1.00 30.59 H new ATOM 0 HA ILE A 115 55.734 102.737 74.190 1.00 30.04 H new ATOM 0 HB ILE A 115 56.378 105.561 75.188 1.00 29.44 H new ATOM 0 HG12 ILE A 115 53.992 103.807 75.939 1.00 29.23 H new ATOM 0 HG13 ILE A 115 55.420 103.954 76.945 1.00 29.23 H new ATOM 0 HG21 ILE A 115 54.201 106.120 74.125 1.00 25.80 H new ATOM 0 HG22 ILE A 115 55.340 105.444 72.935 1.00 25.80 H new ATOM 0 HG23 ILE A 115 54.032 104.431 73.590 1.00 25.80 H new ATOM 0 HD11 ILE A 115 53.675 105.568 77.660 1.00 28.50 H new ATOM 0 HD12 ILE A 115 55.108 106.429 77.050 1.00 28.50 H new ATOM 0 HD13 ILE A 115 53.659 106.280 76.029 1.00 28.50 H new ATOM 1684 N ALA A 116 57.238 103.155 72.270 1.00 30.78 N ATOM 1685 CA ALA A 116 58.145 103.389 71.099 1.00 29.78 C ATOM 1686 C ALA A 116 58.247 104.878 70.759 1.00 29.57 C ATOM 1687 O ALA A 116 57.290 105.619 70.883 1.00 28.51 O ATOM 1688 CB ALA A 116 57.500 102.628 69.938 1.00 27.76 C ATOM 0 H ALA A 116 56.524 102.442 72.121 1.00 30.78 H new ATOM 0 HA ALA A 116 59.160 103.051 71.310 1.00 29.78 H new ATOM 0 HB1 ALA A 116 58.107 102.751 69.041 1.00 27.76 H new ATOM 0 HB2 ALA A 116 57.433 101.569 70.189 1.00 27.76 H new ATOM 0 HB3 ALA A 116 56.500 103.021 69.756 1.00 27.76 H new ATOM 1694 N ALA A 117 59.403 105.314 70.332 1.00 0.00 N ATOM 1695 CA ALA A 117 59.584 106.749 69.981 1.00 0.00 C ATOM 1696 C ALA A 117 59.282 106.975 68.501 1.00 0.00 C ATOM 1697 O ALA A 117 59.937 106.428 67.633 1.00 0.00 O ATOM 1698 CB ALA A 117 61.056 107.040 70.271 1.00 0.00 C ATOM 0 H ALA A 117 60.232 104.733 70.211 1.00 0.00 H new ATOM 0 HA ALA A 117 58.915 107.399 70.545 1.00 0.00 H new ATOM 0 HB1 ALA A 117 61.274 108.082 70.038 1.00 0.00 H new ATOM 0 HB2 ALA A 117 61.263 106.853 71.325 1.00 0.00 H new ATOM 0 HB3 ALA A 117 61.683 106.392 69.658 1.00 0.00 H new ATOM 1704 N PHE A 118 58.310 107.795 68.209 1.00 29.64 N ATOM 1705 CA PHE A 118 57.966 108.090 66.785 1.00 29.08 C ATOM 1706 C PHE A 118 58.389 109.524 66.465 1.00 30.66 C ATOM 1707 O PHE A 118 58.723 110.284 67.355 1.00 30.55 O ATOM 1708 CB PHE A 118 56.446 107.911 66.662 1.00 25.73 C ATOM 1709 CG PHE A 118 55.727 108.757 67.688 1.00 23.37 C ATOM 1710 CD1 PHE A 118 55.492 110.113 67.439 1.00 22.18 C ATOM 1711 CD2 PHE A 118 55.295 108.180 68.888 1.00 22.99 C ATOM 1712 CE1 PHE A 118 54.823 110.893 68.389 1.00 21.08 C ATOM 1713 CE2 PHE A 118 54.625 108.960 69.837 1.00 21.66 C ATOM 1714 CZ PHE A 118 54.389 110.317 69.588 1.00 21.66 C ATOM 0 H PHE A 118 57.734 108.278 68.899 1.00 29.64 H new ATOM 0 HA PHE A 118 58.477 107.430 66.083 1.00 29.08 H new ATOM 0 HB2 PHE A 118 56.121 108.191 65.660 1.00 25.73 H new ATOM 0 HB3 PHE A 118 56.185 106.862 66.800 1.00 25.73 H new ATOM 0 HD1 PHE A 118 55.827 110.558 66.514 1.00 22.18 H new ATOM 0 HD2 PHE A 118 55.479 107.133 69.081 1.00 22.99 H new ATOM 0 HE1 PHE A 118 54.642 111.940 68.197 1.00 21.08 H new ATOM 0 HE2 PHE A 118 54.290 108.515 70.762 1.00 21.66 H new ATOM 0 HZ PHE A 118 53.872 110.919 70.321 1.00 21.66 H new ATOM 1724 N VAL A 119 58.387 109.903 65.212 1.00 0.00 N ATOM 1725 CA VAL A 119 58.800 111.293 64.855 1.00 0.00 C ATOM 1726 C VAL A 119 57.615 112.075 64.281 1.00 0.00 C ATOM 1727 O VAL A 119 56.688 111.509 63.733 1.00 0.00 O ATOM 1728 CB VAL A 119 59.901 111.124 63.799 1.00 0.00 C ATOM 1729 CG1 VAL A 119 60.417 112.499 63.365 1.00 0.00 C ATOM 1730 CG2 VAL A 119 61.061 110.317 64.391 1.00 0.00 C ATOM 0 H VAL A 119 58.119 109.313 64.425 1.00 0.00 H new ATOM 0 HA VAL A 119 59.151 111.852 65.723 1.00 0.00 H new ATOM 0 HB VAL A 119 59.490 110.599 62.936 1.00 0.00 H new ATOM 0 HG11 VAL A 119 61.198 112.374 62.615 1.00 0.00 H new ATOM 0 HG12 VAL A 119 59.597 113.078 62.941 1.00 0.00 H new ATOM 0 HG13 VAL A 119 60.824 113.024 64.229 1.00 0.00 H new ATOM 0 HG21 VAL A 119 61.842 110.198 63.640 1.00 0.00 H new ATOM 0 HG22 VAL A 119 61.466 110.843 65.256 1.00 0.00 H new ATOM 0 HG23 VAL A 119 60.701 109.335 64.699 1.00 0.00 H new ATOM 1740 N LEU A 120 57.655 113.375 64.398 1.00 36.62 N ATOM 1741 CA LEU A 120 56.552 114.222 63.859 1.00 37.66 C ATOM 1742 C LEU A 120 57.075 115.046 62.683 1.00 38.64 C ATOM 1743 O LEU A 120 58.137 115.633 62.753 1.00 37.83 O ATOM 1744 CB LEU A 120 56.123 115.145 65.009 1.00 38.14 C ATOM 1745 CG LEU A 120 55.363 114.354 66.081 1.00 37.94 C ATOM 1746 CD1 LEU A 120 56.325 113.449 66.855 1.00 39.15 C ATOM 1747 CD2 LEU A 120 54.695 115.329 67.052 1.00 37.30 C ATOM 0 H LEU A 120 58.411 113.891 64.848 1.00 36.62 H new ATOM 0 HA LEU A 120 55.713 113.624 63.503 1.00 37.66 H new ATOM 0 HB2 LEU A 120 57.001 115.616 65.451 1.00 38.14 H new ATOM 0 HB3 LEU A 120 55.491 115.945 64.624 1.00 38.14 H new ATOM 0 HG LEU A 120 54.607 113.736 65.596 1.00 37.94 H new ATOM 0 HD11 LEU A 120 55.772 112.894 67.613 1.00 39.15 H new ATOM 0 HD12 LEU A 120 56.800 112.750 66.167 1.00 39.15 H new ATOM 0 HD13 LEU A 120 57.089 114.058 67.338 1.00 39.15 H new ATOM 0 HD21 LEU A 120 54.154 114.769 67.815 1.00 37.30 H new ATOM 0 HD22 LEU A 120 55.456 115.948 67.527 1.00 37.30 H new ATOM 0 HD23 LEU A 120 53.998 115.966 66.507 1.00 37.30 H new ATOM 1759 N SER A 121 56.339 115.083 61.601 1.00 0.00 N ATOM 1760 CA SER A 121 56.786 115.862 60.407 1.00 0.00 C ATOM 1761 C SER A 121 55.573 116.300 59.582 1.00 0.00 C ATOM 1762 O SER A 121 55.523 117.402 59.072 1.00 0.00 O ATOM 1763 CB SER A 121 57.658 114.896 59.608 1.00 0.00 C ATOM 1764 OG SER A 121 56.864 113.803 59.165 1.00 0.00 O ATOM 0 H SER A 121 55.444 114.605 61.493 1.00 0.00 H new ATOM 0 HA SER A 121 57.329 116.767 60.681 1.00 0.00 H new ATOM 0 HB2 SER A 121 58.100 115.409 58.754 1.00 0.00 H new ATOM 0 HB3 SER A 121 58.481 114.536 60.225 1.00 0.00 H new ATOM 0 HG SER A 121 57.420 113.182 58.650 1.00 0.00 H new