USER MOD reduce.3.24.130724 H: found=0, std=0, add=986, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 988 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 141 HIS :FLIP no HD1:sc= 0 X(o=-4.3,f=-4) USER MOD Set 1.2: A 145 GLN :FLIP amide:sc= -4.04! C(o=-5.3!,f=-4!) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0.0233 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.471 K(o=-0.47,f=-1.1) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 CYS SG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 THR OG1 : rot -26:sc= -1.26 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= -1.14 K(o=-1.1,f=-6.1!) USER MOD Single : A 97 THR OG1 : rot -88:sc= -1.52 USER MOD Single : A 100 GLN : amide:sc= 0.561 K(o=0.56,f=-0.011) USER MOD Single : A 102 HIS : no HD1:sc= -0.0399 X(o=-0.04,f=-0.0093) USER MOD Single : A 104 GLN : amide:sc= -6.94! C(o=-6.9!,f=-13!) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 32:sc= 0.51 USER MOD Single : A 109 LYS NZ :NH3+ -128:sc= -0.46 (180deg=-2.13!) USER MOD Single : A 114 GLN : amide:sc= -0.215 X(o=-0.21,f=-0.23) USER MOD Single : A 116 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 LYS NZ :NH3+ 169:sc= -0.0138 (180deg=-0.161) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 134 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 GLN :FLIP amide:sc= -0.952 F(o=-1.6,f=-0.95) USER MOD Single : A 136 THR OG1 : rot -53:sc= 0.00286 USER MOD Single : B 518 HIS : no HD1:sc= -0.2 X(o=-0.2,f=-0.059) USER MOD Single : B 519 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 523 THR OG1 : rot 180:sc= 0 USER MOD Single : B 527 SER OG : rot 180:sc= 0 USER MOD Single : B 529 SER OG : rot 180:sc= 0 USER MOD Single : B 531 ASN : amide:sc= -0.41 X(o=-0.41,f=-0.23) USER MOD Single : B 532 ASN : amide:sc= -0.128 X(o=-0.13,f=-0.34) USER MOD Single : B 535 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 536 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 537 SER OG : rot 54:sc= 1.18 USER MOD Single : B 541 SER OG : rot -169:sc= 0.0235 USER MOD Single : B 545 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00396) USER MOD Single : B 547 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 548 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 553 TYR OH : rot 30:sc= -0.259 USER MOD Single : B 558 GLN : amide:sc= -0.0525 X(o=-0.053,f=0) USER MOD Single : B 562 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.557) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 69 35.203 0.068 -46.401 1.00 74.20 N ATOM 2 CA MET A 69 33.970 0.456 -45.727 1.00 31.11 C ATOM 3 C MET A 69 33.694 -0.452 -44.532 1.00 50.54 C ATOM 4 O MET A 69 34.318 -1.502 -44.383 1.00 3.54 O ATOM 5 CB MET A 69 32.793 0.407 -46.702 1.00 33.12 C ATOM 6 CG MET A 69 32.684 -0.907 -47.458 1.00 34.21 C ATOM 7 SD MET A 69 31.065 -1.140 -48.217 1.00 30.11 S ATOM 8 CE MET A 69 31.528 -1.405 -49.927 1.00 32.55 C ATOM 0 HA MET A 69 34.090 1.477 -45.365 1.00 31.11 H new ATOM 0 HB2 MET A 69 31.868 0.577 -46.151 1.00 33.12 H new ATOM 0 HB3 MET A 69 32.892 1.222 -47.419 1.00 33.12 H new ATOM 0 HG2 MET A 69 33.452 -0.942 -48.231 1.00 34.21 H new ATOM 0 HG3 MET A 69 32.883 -1.732 -46.774 1.00 34.21 H new ATOM 0 HE1 MET A 69 30.632 -1.565 -50.526 1.00 32.55 H new ATOM 0 HE2 MET A 69 32.062 -0.531 -50.299 1.00 32.55 H new ATOM 0 HE3 MET A 69 32.173 -2.281 -49.998 1.00 32.55 H new ATOM 18 N ASP A 70 32.757 -0.040 -43.685 1.00 23.23 N ATOM 19 CA ASP A 70 32.398 -0.817 -42.505 1.00 34.14 C ATOM 20 C ASP A 70 32.040 -2.250 -42.886 1.00 65.45 C ATOM 21 O ASP A 70 31.440 -2.493 -43.932 1.00 24.10 O ATOM 22 CB ASP A 70 31.225 -0.162 -41.774 1.00 21.10 C ATOM 23 CG ASP A 70 30.956 -0.799 -40.425 1.00 71.45 C ATOM 24 OD1 ASP A 70 31.929 -1.067 -39.689 1.00 15.14 O ATOM 25 OD2 ASP A 70 29.771 -1.029 -40.104 1.00 53.42 O1- ATOM 0 H ASP A 70 32.232 0.828 -43.794 1.00 23.23 H new ATOM 0 HA ASP A 70 33.262 -0.842 -41.840 1.00 34.14 H new ATOM 0 HB2 ASP A 70 31.433 0.899 -41.637 1.00 21.10 H new ATOM 0 HB3 ASP A 70 30.330 -0.234 -42.392 1.00 21.10 H new ATOM 30 N ASN A 71 32.413 -3.196 -42.030 1.00 22.14 N ATOM 31 CA ASN A 71 32.132 -4.605 -42.278 1.00 34.12 C ATOM 32 C ASN A 71 30.868 -5.045 -41.545 1.00 4.12 C ATOM 33 O ASN A 71 30.775 -4.931 -40.323 1.00 65.53 O ATOM 34 CB ASN A 71 33.316 -5.467 -41.837 1.00 71.13 C ATOM 35 CG ASN A 71 34.650 -4.795 -42.097 1.00 0.32 C ATOM 36 OD1 ASN A 71 35.119 -4.741 -43.234 1.00 3.23 O ATOM 37 ND2 ASN A 71 35.268 -4.278 -41.042 1.00 4.42 N ATOM 0 H ASN A 71 32.910 -3.012 -41.159 1.00 22.14 H new ATOM 0 HA ASN A 71 31.974 -4.736 -43.349 1.00 34.12 H new ATOM 0 HB2 ASN A 71 33.225 -5.688 -40.773 1.00 71.13 H new ATOM 0 HB3 ASN A 71 33.284 -6.420 -42.364 1.00 71.13 H new ATOM 0 HD21 ASN A 71 36.169 -3.813 -41.156 1.00 4.42 H new ATOM 0 HD22 ASN A 71 34.842 -4.346 -40.118 1.00 4.42 H new ATOM 44 N SER A 72 29.898 -5.549 -42.301 1.00 3.04 N ATOM 45 CA SER A 72 28.638 -6.003 -41.725 1.00 45.25 C ATOM 46 C SER A 72 28.779 -7.409 -41.149 1.00 31.43 C ATOM 47 O SER A 72 28.607 -8.402 -41.855 1.00 24.42 O ATOM 48 CB SER A 72 27.533 -5.983 -42.783 1.00 33.44 C ATOM 49 OG SER A 72 26.265 -6.237 -42.201 1.00 30.22 O ATOM 0 H SER A 72 29.961 -5.653 -43.314 1.00 3.04 H new ATOM 0 HA SER A 72 28.371 -5.322 -40.917 1.00 45.25 H new ATOM 0 HB2 SER A 72 27.520 -5.014 -43.282 1.00 33.44 H new ATOM 0 HB3 SER A 72 27.743 -6.732 -43.547 1.00 33.44 H new ATOM 0 HG SER A 72 25.576 -6.217 -42.897 1.00 30.22 H new ATOM 55 N ALA A 73 29.095 -7.484 -39.861 1.00 32.23 N ATOM 56 CA ALA A 73 29.259 -8.766 -39.187 1.00 1.24 C ATOM 57 C ALA A 73 28.602 -8.752 -37.811 1.00 73.54 C ATOM 58 O ALA A 73 28.995 -7.982 -36.934 1.00 43.12 O ATOM 59 CB ALA A 73 30.734 -9.115 -39.066 1.00 50.03 C ATOM 0 H ALA A 73 29.243 -6.671 -39.263 1.00 32.23 H new ATOM 0 HA ALA A 73 28.765 -9.529 -39.788 1.00 1.24 H new ATOM 0 HB1 ALA A 73 30.841 -10.075 -38.561 1.00 50.03 H new ATOM 0 HB2 ALA A 73 31.176 -9.177 -40.060 1.00 50.03 H new ATOM 0 HB3 ALA A 73 31.244 -8.343 -38.490 1.00 50.03 H new ATOM 65 N SER A 74 27.600 -9.606 -37.629 1.00 65.05 N ATOM 66 CA SER A 74 26.887 -9.688 -36.360 1.00 24.22 C ATOM 67 C SER A 74 27.717 -10.429 -35.316 1.00 51.35 C ATOM 68 O SER A 74 28.280 -11.488 -35.592 1.00 13.12 O ATOM 69 CB SER A 74 25.541 -10.390 -36.552 1.00 11.40 C ATOM 70 OG SER A 74 25.675 -11.529 -37.383 1.00 64.15 O ATOM 0 H SER A 74 27.264 -10.251 -38.344 1.00 65.05 H new ATOM 0 HA SER A 74 26.712 -8.673 -36.004 1.00 24.22 H new ATOM 0 HB2 SER A 74 25.141 -10.688 -35.583 1.00 11.40 H new ATOM 0 HB3 SER A 74 24.825 -9.696 -36.993 1.00 11.40 H new ATOM 0 HG SER A 74 24.802 -11.961 -37.489 1.00 64.15 H new ATOM 76 N LYS A 75 27.788 -9.865 -34.116 1.00 51.20 N ATOM 77 CA LYS A 75 28.547 -10.471 -33.028 1.00 61.13 C ATOM 78 C LYS A 75 27.775 -10.389 -31.715 1.00 14.21 C ATOM 79 O LYS A 75 26.956 -9.493 -31.520 1.00 53.03 O ATOM 80 CB LYS A 75 29.903 -9.779 -32.879 1.00 4.54 C ATOM 81 CG LYS A 75 29.800 -8.300 -32.546 1.00 70.10 C ATOM 82 CD LYS A 75 31.170 -7.647 -32.468 1.00 22.54 C ATOM 83 CE LYS A 75 31.112 -6.316 -31.736 1.00 42.01 C ATOM 84 NZ LYS A 75 32.436 -5.936 -31.172 1.00 3.24 N1+ ATOM 0 H LYS A 75 27.329 -8.988 -33.871 1.00 51.20 H new ATOM 0 HA LYS A 75 28.707 -11.522 -33.270 1.00 61.13 H new ATOM 0 HB2 LYS A 75 30.473 -10.280 -32.096 1.00 4.54 H new ATOM 0 HB3 LYS A 75 30.464 -9.896 -33.806 1.00 4.54 H new ATOM 0 HG2 LYS A 75 29.199 -7.797 -33.304 1.00 70.10 H new ATOM 0 HG3 LYS A 75 29.283 -8.176 -31.595 1.00 70.10 H new ATOM 0 HD2 LYS A 75 31.864 -8.315 -31.957 1.00 22.54 H new ATOM 0 HD3 LYS A 75 31.559 -7.493 -33.475 1.00 22.54 H new ATOM 0 HE2 LYS A 75 30.772 -5.539 -32.421 1.00 42.01 H new ATOM 0 HE3 LYS A 75 30.378 -6.375 -30.932 1.00 42.01 H new ATOM 0 HZ1 LYS A 75 32.355 -5.023 -30.681 1.00 3.24 H new ATOM 0 HZ2 LYS A 75 32.749 -6.665 -30.499 1.00 3.24 H new ATOM 0 HZ3 LYS A 75 33.131 -5.855 -31.942 1.00 3.24 H new ATOM 98 N ASN A 76 28.044 -11.331 -30.817 1.00 3.42 N ATOM 99 CA ASN A 76 27.376 -11.365 -29.521 1.00 15.21 C ATOM 100 C ASN A 76 28.175 -12.191 -28.518 1.00 1.14 C ATOM 101 O ASN A 76 28.282 -13.411 -28.649 1.00 24.43 O ATOM 102 CB ASN A 76 25.966 -11.941 -29.666 1.00 52.35 C ATOM 103 CG ASN A 76 25.968 -13.319 -30.301 1.00 1.44 C ATOM 104 OD1 ASN A 76 26.023 -14.335 -29.608 1.00 51.55 O ATOM 105 ND2 ASN A 76 25.906 -13.359 -31.627 1.00 51.31 N ATOM 0 H ASN A 76 28.720 -12.081 -30.963 1.00 3.42 H new ATOM 0 HA ASN A 76 27.307 -10.343 -29.149 1.00 15.21 H new ATOM 0 HB2 ASN A 76 25.496 -11.997 -28.684 1.00 52.35 H new ATOM 0 HB3 ASN A 76 25.361 -11.266 -30.271 1.00 52.35 H new ATOM 0 HD21 ASN A 76 25.903 -14.257 -32.111 1.00 51.31 H new ATOM 0 HD22 ASN A 76 25.862 -12.492 -32.162 1.00 51.31 H new ATOM 112 N SER A 77 28.733 -11.519 -27.517 1.00 4.44 N ATOM 113 CA SER A 77 29.525 -12.191 -26.492 1.00 12.05 C ATOM 114 C SER A 77 29.278 -11.569 -25.121 1.00 25.02 C ATOM 115 O SER A 77 29.184 -10.350 -24.987 1.00 34.10 O ATOM 116 CB SER A 77 31.013 -12.117 -26.839 1.00 2.00 C ATOM 117 OG SER A 77 31.267 -12.663 -28.121 1.00 22.15 O ATOM 0 H SER A 77 28.652 -10.510 -27.393 1.00 4.44 H new ATOM 0 HA SER A 77 29.219 -13.237 -26.457 1.00 12.05 H new ATOM 0 HB2 SER A 77 31.345 -11.079 -26.810 1.00 2.00 H new ATOM 0 HB3 SER A 77 31.591 -12.657 -26.089 1.00 2.00 H new ATOM 0 HG SER A 77 32.225 -12.602 -28.319 1.00 22.15 H new ATOM 123 N ALA A 78 29.175 -12.418 -24.104 1.00 22.23 N ATOM 124 CA ALA A 78 28.942 -11.955 -22.742 1.00 11.51 C ATOM 125 C ALA A 78 30.258 -11.727 -22.006 1.00 34.52 C ATOM 126 O ALA A 78 30.686 -12.563 -21.209 1.00 71.44 O ATOM 127 CB ALA A 78 28.077 -12.952 -21.985 1.00 23.42 C ATOM 0 H ALA A 78 29.249 -13.431 -24.198 1.00 22.23 H new ATOM 0 HA ALA A 78 28.416 -11.002 -22.795 1.00 11.51 H new ATOM 0 HB1 ALA A 78 27.912 -12.593 -20.969 1.00 23.42 H new ATOM 0 HB2 ALA A 78 27.118 -13.061 -22.492 1.00 23.42 H new ATOM 0 HB3 ALA A 78 28.581 -13.918 -21.950 1.00 23.42 H new ATOM 133 N ILE A 79 30.894 -10.594 -22.279 1.00 74.14 N ATOM 134 CA ILE A 79 32.162 -10.258 -21.642 1.00 71.01 C ATOM 135 C ILE A 79 32.103 -8.878 -20.994 1.00 71.13 C ATOM 136 O ILE A 79 32.662 -8.662 -19.919 1.00 10.44 O ATOM 137 CB ILE A 79 33.325 -10.289 -22.651 1.00 31.22 C ATOM 138 CG1 ILE A 79 34.636 -9.900 -21.964 1.00 14.41 C ATOM 139 CG2 ILE A 79 33.037 -9.358 -23.820 1.00 3.00 C ATOM 140 CD1 ILE A 79 35.004 -10.805 -20.810 1.00 1.13 C ATOM 0 H ILE A 79 30.553 -9.893 -22.937 1.00 74.14 H new ATOM 0 HA ILE A 79 32.338 -11.011 -20.874 1.00 71.01 H new ATOM 0 HB ILE A 79 33.426 -11.304 -23.036 1.00 31.22 H new ATOM 0 HG12 ILE A 79 35.441 -9.916 -22.699 1.00 14.41 H new ATOM 0 HG13 ILE A 79 34.557 -8.875 -21.601 1.00 14.41 H new ATOM 0 HG21 ILE A 79 33.868 -9.391 -24.525 1.00 3.00 H new ATOM 0 HG22 ILE A 79 32.123 -9.676 -24.322 1.00 3.00 H new ATOM 0 HG23 ILE A 79 32.913 -8.339 -23.452 1.00 3.00 H new ATOM 0 HD11 ILE A 79 35.944 -10.470 -20.371 1.00 1.13 H new ATOM 0 HD12 ILE A 79 34.218 -10.771 -20.056 1.00 1.13 H new ATOM 0 HD13 ILE A 79 35.116 -11.827 -21.171 1.00 1.13 H new ATOM 152 N SER A 80 31.420 -7.949 -21.654 1.00 54.20 N ATOM 153 CA SER A 80 31.289 -6.590 -21.144 1.00 1.35 C ATOM 154 C SER A 80 30.028 -6.446 -20.297 1.00 11.25 C ATOM 155 O SER A 80 30.018 -5.729 -19.296 1.00 61.02 O ATOM 156 CB SER A 80 31.255 -5.589 -22.301 1.00 45.00 C ATOM 157 OG SER A 80 31.251 -4.255 -21.822 1.00 4.14 O ATOM 0 H SER A 80 30.949 -8.113 -22.544 1.00 54.20 H new ATOM 0 HA SER A 80 32.155 -6.380 -20.516 1.00 1.35 H new ATOM 0 HB2 SER A 80 32.120 -5.744 -22.946 1.00 45.00 H new ATOM 0 HB3 SER A 80 30.368 -5.763 -22.910 1.00 45.00 H new ATOM 0 HG SER A 80 31.231 -3.635 -22.581 1.00 4.14 H new ATOM 163 N SER A 81 28.967 -7.135 -20.704 1.00 72.10 N ATOM 164 CA SER A 81 27.699 -7.082 -19.986 1.00 3.34 C ATOM 165 C SER A 81 27.120 -5.671 -20.008 1.00 74.11 C ATOM 166 O SER A 81 26.576 -5.196 -19.011 1.00 52.22 O ATOM 167 CB SER A 81 27.889 -7.546 -18.540 1.00 32.25 C ATOM 168 OG SER A 81 26.695 -8.110 -18.025 1.00 4.53 O ATOM 0 H SER A 81 28.960 -7.737 -21.528 1.00 72.10 H new ATOM 0 HA SER A 81 26.998 -7.750 -20.486 1.00 3.34 H new ATOM 0 HB2 SER A 81 28.692 -8.281 -18.493 1.00 32.25 H new ATOM 0 HB3 SER A 81 28.193 -6.702 -17.921 1.00 32.25 H new ATOM 0 HG SER A 81 26.842 -8.400 -17.101 1.00 4.53 H new ATOM 174 N SER A 82 27.240 -5.006 -21.152 1.00 64.12 N ATOM 175 CA SER A 82 26.734 -3.647 -21.304 1.00 73.52 C ATOM 176 C SER A 82 26.459 -3.331 -22.771 1.00 10.43 C ATOM 177 O SER A 82 27.362 -3.377 -23.607 1.00 22.43 O ATOM 178 CB SER A 82 27.732 -2.641 -20.732 1.00 44.04 C ATOM 179 OG SER A 82 27.368 -1.313 -21.069 1.00 54.11 O ATOM 0 H SER A 82 27.684 -5.386 -21.988 1.00 64.12 H new ATOM 0 HA SER A 82 25.797 -3.571 -20.752 1.00 73.52 H new ATOM 0 HB2 SER A 82 27.777 -2.745 -19.648 1.00 44.04 H new ATOM 0 HB3 SER A 82 28.730 -2.856 -21.115 1.00 44.04 H new ATOM 0 HG SER A 82 28.021 -0.689 -20.690 1.00 54.11 H new ATOM 185 N ILE A 83 25.206 -3.011 -23.076 1.00 3.54 N ATOM 186 CA ILE A 83 24.812 -2.686 -24.441 1.00 1.04 C ATOM 187 C ILE A 83 25.069 -1.216 -24.752 1.00 52.44 C ATOM 188 O ILE A 83 25.442 -0.863 -25.872 1.00 74.14 O ATOM 189 CB ILE A 83 23.324 -2.999 -24.687 1.00 20.12 C ATOM 190 CG1 ILE A 83 22.995 -4.419 -24.221 1.00 73.13 C ATOM 191 CG2 ILE A 83 22.983 -2.827 -26.160 1.00 13.24 C ATOM 192 CD1 ILE A 83 23.829 -5.485 -24.896 1.00 71.04 C ATOM 0 H ILE A 83 24.447 -2.970 -22.396 1.00 3.54 H new ATOM 0 HA ILE A 83 25.419 -3.306 -25.101 1.00 1.04 H new ATOM 0 HB ILE A 83 22.720 -2.298 -24.110 1.00 20.12 H new ATOM 0 HG12 ILE A 83 23.143 -4.482 -23.143 1.00 73.13 H new ATOM 0 HG13 ILE A 83 21.941 -4.620 -24.411 1.00 73.13 H new ATOM 0 HG21 ILE A 83 21.928 -3.052 -26.318 1.00 13.24 H new ATOM 0 HG22 ILE A 83 23.184 -1.799 -26.462 1.00 13.24 H new ATOM 0 HG23 ILE A 83 23.592 -3.507 -26.756 1.00 13.24 H new ATOM 0 HD11 ILE A 83 23.542 -6.466 -24.517 1.00 71.04 H new ATOM 0 HD12 ILE A 83 23.663 -5.449 -25.973 1.00 71.04 H new ATOM 0 HD13 ILE A 83 24.884 -5.309 -24.685 1.00 71.04 H new ATOM 204 N PHE A 84 24.868 -0.362 -23.755 1.00 22.43 N ATOM 205 CA PHE A 84 25.079 1.072 -23.921 1.00 52.22 C ATOM 206 C PHE A 84 26.482 1.358 -24.447 1.00 1.23 C ATOM 207 O PHE A 84 26.685 2.281 -25.237 1.00 0.11 O ATOM 208 CB PHE A 84 24.862 1.798 -22.592 1.00 51.20 C ATOM 209 CG PHE A 84 23.422 1.863 -22.172 1.00 42.14 C ATOM 210 CD1 PHE A 84 23.017 1.336 -20.956 1.00 24.13 C ATOM 211 CD2 PHE A 84 22.473 2.451 -22.992 1.00 23.11 C ATOM 212 CE1 PHE A 84 21.692 1.394 -20.567 1.00 43.41 C ATOM 213 CE2 PHE A 84 21.146 2.511 -22.608 1.00 3.54 C ATOM 214 CZ PHE A 84 20.755 1.984 -21.394 1.00 63.45 C ATOM 0 H PHE A 84 24.559 -0.637 -22.823 1.00 22.43 H new ATOM 0 HA PHE A 84 24.356 1.439 -24.649 1.00 52.22 H new ATOM 0 HB2 PHE A 84 25.436 1.295 -21.814 1.00 51.20 H new ATOM 0 HB3 PHE A 84 25.255 2.812 -22.673 1.00 51.20 H new ATOM 0 HD1 PHE A 84 23.745 0.875 -20.305 1.00 24.13 H new ATOM 0 HD2 PHE A 84 22.773 2.867 -23.942 1.00 23.11 H new ATOM 0 HE1 PHE A 84 21.389 0.978 -19.617 1.00 43.41 H new ATOM 0 HE2 PHE A 84 20.416 2.970 -23.258 1.00 3.54 H new ATOM 0 HZ PHE A 84 19.720 2.032 -21.091 1.00 63.45 H new ATOM 224 N CYS A 85 27.447 0.560 -24.004 1.00 41.44 N ATOM 225 CA CYS A 85 28.833 0.727 -24.428 1.00 10.24 C ATOM 226 C CYS A 85 28.987 0.424 -25.915 1.00 23.33 C ATOM 227 O CYS A 85 29.587 1.200 -26.657 1.00 44.32 O ATOM 228 CB CYS A 85 29.751 -0.183 -23.611 1.00 12.32 C ATOM 229 SG CYS A 85 31.482 -0.145 -24.134 1.00 24.32 S ATOM 0 H CYS A 85 27.296 -0.209 -23.351 1.00 41.44 H new ATOM 0 HA CYS A 85 29.117 1.765 -24.257 1.00 10.24 H new ATOM 0 HB2 CYS A 85 29.693 0.107 -22.562 1.00 12.32 H new ATOM 0 HB3 CYS A 85 29.384 -1.207 -23.679 1.00 12.32 H new ATOM 0 HG CYS A 85 32.180 -0.944 -23.383 1.00 24.32 H new ATOM 235 N GLU A 86 28.441 -0.711 -26.342 1.00 41.31 N ATOM 236 CA GLU A 86 28.520 -1.117 -27.740 1.00 23.33 C ATOM 237 C GLU A 86 28.048 0.005 -28.659 1.00 54.43 C ATOM 238 O GLU A 86 28.495 0.116 -29.802 1.00 14.41 O ATOM 239 CB GLU A 86 27.680 -2.374 -27.977 1.00 70.34 C ATOM 240 CG GLU A 86 27.572 -2.767 -29.441 1.00 12.31 C ATOM 241 CD GLU A 86 28.919 -3.094 -30.057 1.00 71.01 C ATOM 242 OE1 GLU A 86 29.111 -2.800 -31.255 1.00 12.02 O ATOM 243 OE2 GLU A 86 29.780 -3.645 -29.340 1.00 72.23 O1- ATOM 0 H GLU A 86 27.940 -1.365 -25.740 1.00 41.31 H new ATOM 0 HA GLU A 86 29.562 -1.337 -27.970 1.00 23.33 H new ATOM 0 HB2 GLU A 86 28.116 -3.202 -27.418 1.00 70.34 H new ATOM 0 HB3 GLU A 86 26.679 -2.212 -27.578 1.00 70.34 H new ATOM 0 HG2 GLU A 86 26.914 -3.631 -29.534 1.00 12.31 H new ATOM 0 HG3 GLU A 86 27.109 -1.953 -29.999 1.00 12.31 H new ATOM 250 N LYS A 87 27.143 0.836 -28.155 1.00 3.45 N ATOM 251 CA LYS A 87 26.610 1.950 -28.929 1.00 44.40 C ATOM 252 C LYS A 87 27.737 2.785 -29.528 1.00 54.55 C ATOM 253 O LYS A 87 27.562 3.429 -30.563 1.00 13.23 O ATOM 254 CB LYS A 87 25.722 2.832 -28.046 1.00 41.11 C ATOM 255 CG LYS A 87 24.600 2.071 -27.360 1.00 30.21 C ATOM 256 CD LYS A 87 23.706 1.367 -28.366 1.00 62.43 C ATOM 257 CE LYS A 87 22.453 0.814 -27.706 1.00 44.42 C ATOM 258 NZ LYS A 87 21.333 1.797 -27.730 1.00 70.52 N1+ ATOM 0 H LYS A 87 26.763 0.759 -27.212 1.00 3.45 H new ATOM 0 HA LYS A 87 26.012 1.541 -29.743 1.00 44.40 H new ATOM 0 HB2 LYS A 87 26.341 3.312 -27.288 1.00 41.11 H new ATOM 0 HB3 LYS A 87 25.291 3.626 -28.656 1.00 41.11 H new ATOM 0 HG2 LYS A 87 25.023 1.338 -26.673 1.00 30.21 H new ATOM 0 HG3 LYS A 87 24.004 2.761 -26.763 1.00 30.21 H new ATOM 0 HD2 LYS A 87 23.425 2.064 -29.155 1.00 62.43 H new ATOM 0 HD3 LYS A 87 24.258 0.555 -28.839 1.00 62.43 H new ATOM 0 HE2 LYS A 87 22.146 -0.099 -28.217 1.00 44.42 H new ATOM 0 HE3 LYS A 87 22.676 0.542 -26.674 1.00 44.42 H new ATOM 0 HZ1 LYS A 87 20.497 1.382 -27.271 1.00 70.52 H new ATOM 0 HZ2 LYS A 87 21.616 2.658 -27.221 1.00 70.52 H new ATOM 0 HZ3 LYS A 87 21.103 2.037 -28.715 1.00 70.52 H new ATOM 272 N TYR A 88 28.893 2.767 -28.874 1.00 73.21 N ATOM 273 CA TYR A 88 30.048 3.523 -29.343 1.00 74.10 C ATOM 274 C TYR A 88 30.297 3.271 -30.827 1.00 50.10 C ATOM 275 O TYR A 88 30.781 4.147 -31.545 1.00 0.51 O ATOM 276 CB TYR A 88 31.291 3.148 -28.534 1.00 0.31 C ATOM 277 CG TYR A 88 32.039 1.957 -29.090 1.00 53.54 C ATOM 278 CD1 TYR A 88 31.478 0.685 -29.064 1.00 4.10 C ATOM 279 CD2 TYR A 88 33.306 2.103 -29.641 1.00 2.51 C ATOM 280 CE1 TYR A 88 32.159 -0.405 -29.570 1.00 5.54 C ATOM 281 CE2 TYR A 88 33.992 1.018 -30.151 1.00 45.43 C ATOM 282 CZ TYR A 88 33.414 -0.234 -30.113 1.00 51.51 C ATOM 283 OH TYR A 88 34.095 -1.317 -30.619 1.00 33.11 O ATOM 0 H TYR A 88 29.055 2.237 -28.018 1.00 73.21 H new ATOM 0 HA TYR A 88 29.838 4.584 -29.204 1.00 74.10 H new ATOM 0 HB2 TYR A 88 31.964 4.005 -28.499 1.00 0.31 H new ATOM 0 HB3 TYR A 88 30.995 2.933 -27.507 1.00 0.31 H new ATOM 0 HD1 TYR A 88 30.494 0.547 -28.641 1.00 4.10 H new ATOM 0 HD2 TYR A 88 33.762 3.081 -29.671 1.00 2.51 H new ATOM 0 HE1 TYR A 88 31.710 -1.387 -29.540 1.00 5.54 H new ATOM 0 HE2 TYR A 88 34.976 1.149 -30.577 1.00 45.43 H new ATOM 0 HH TYR A 88 34.964 -1.024 -30.965 1.00 33.11 H new ATOM 293 N LYS A 89 29.965 2.068 -31.281 1.00 34.53 N ATOM 294 CA LYS A 89 30.150 1.698 -32.679 1.00 32.43 C ATOM 295 C LYS A 89 29.236 2.519 -33.584 1.00 22.43 C ATOM 296 O LYS A 89 29.705 3.266 -34.441 1.00 3.10 O ATOM 297 CB LYS A 89 29.873 0.206 -32.874 1.00 53.34 C ATOM 298 CG LYS A 89 30.150 -0.284 -34.285 1.00 63.43 C ATOM 299 CD LYS A 89 29.379 -1.556 -34.595 1.00 14.45 C ATOM 300 CE LYS A 89 29.126 -1.705 -36.088 1.00 72.22 C ATOM 301 NZ LYS A 89 28.600 -3.055 -36.430 1.00 43.33 N1+ ATOM 0 H LYS A 89 29.566 1.331 -30.700 1.00 34.53 H new ATOM 0 HA LYS A 89 31.185 1.907 -32.951 1.00 32.43 H new ATOM 0 HB2 LYS A 89 30.485 -0.363 -32.174 1.00 53.34 H new ATOM 0 HB3 LYS A 89 28.831 0.003 -32.626 1.00 53.34 H new ATOM 0 HG2 LYS A 89 29.877 0.492 -35.001 1.00 63.43 H new ATOM 0 HG3 LYS A 89 31.218 -0.466 -34.405 1.00 63.43 H new ATOM 0 HD2 LYS A 89 29.937 -2.419 -34.232 1.00 14.45 H new ATOM 0 HD3 LYS A 89 28.428 -1.545 -34.063 1.00 14.45 H new ATOM 0 HE2 LYS A 89 28.415 -0.945 -36.413 1.00 72.22 H new ATOM 0 HE3 LYS A 89 30.053 -1.528 -36.633 1.00 72.22 H new ATOM 0 HZ1 LYS A 89 28.441 -3.116 -37.456 1.00 43.33 H new ATOM 0 HZ2 LYS A 89 29.289 -3.779 -36.143 1.00 43.33 H new ATOM 0 HZ3 LYS A 89 27.702 -3.214 -35.930 1.00 43.33 H new ATOM 315 N GLN A 90 27.929 2.374 -33.385 1.00 2.13 N ATOM 316 CA GLN A 90 26.951 3.103 -34.184 1.00 14.13 C ATOM 317 C GLN A 90 27.214 4.603 -34.131 1.00 2.13 C ATOM 318 O GLN A 90 27.127 5.297 -35.145 1.00 41.43 O ATOM 319 CB GLN A 90 25.534 2.803 -33.690 1.00 44.13 C ATOM 320 CG GLN A 90 24.463 3.020 -34.746 1.00 72.41 C ATOM 321 CD GLN A 90 24.243 1.797 -35.614 1.00 65.22 C ATOM 322 OE1 GLN A 90 23.705 0.787 -35.159 1.00 14.22 O ATOM 323 NE2 GLN A 90 24.659 1.881 -36.872 1.00 61.02 N ATOM 0 H GLN A 90 27.524 1.760 -32.679 1.00 2.13 H new ATOM 0 HA GLN A 90 27.045 2.773 -35.219 1.00 14.13 H new ATOM 0 HB2 GLN A 90 25.489 1.770 -33.346 1.00 44.13 H new ATOM 0 HB3 GLN A 90 25.317 3.435 -32.829 1.00 44.13 H new ATOM 0 HG2 GLN A 90 23.526 3.288 -34.258 1.00 72.41 H new ATOM 0 HG3 GLN A 90 24.746 3.863 -35.377 1.00 72.41 H new ATOM 0 HE21 GLN A 90 25.100 2.738 -37.207 1.00 61.02 H new ATOM 0 HE22 GLN A 90 24.538 1.089 -37.503 1.00 61.02 H new ATOM 332 N THR A 91 27.536 5.101 -32.941 1.00 22.11 N ATOM 333 CA THR A 91 27.811 6.521 -32.756 1.00 23.40 C ATOM 334 C THR A 91 28.980 6.972 -33.623 1.00 53.31 C ATOM 335 O THR A 91 28.861 7.923 -34.397 1.00 13.14 O ATOM 336 CB THR A 91 28.123 6.844 -31.282 1.00 43.34 C ATOM 337 OG1 THR A 91 29.312 6.159 -30.872 1.00 21.23 O ATOM 338 CG2 THR A 91 26.965 6.444 -30.382 1.00 21.32 C ATOM 0 H THR A 91 27.613 4.542 -32.091 1.00 22.11 H new ATOM 0 HA THR A 91 26.912 7.060 -33.056 1.00 23.40 H new ATOM 0 HB THR A 91 28.275 7.920 -31.193 1.00 43.34 H new ATOM 0 HG1 THR A 91 29.428 5.352 -31.415 1.00 21.23 H new ATOM 0 HG21 THR A 91 27.210 6.682 -29.347 1.00 21.32 H new ATOM 0 HG22 THR A 91 26.069 6.990 -30.678 1.00 21.32 H new ATOM 0 HG23 THR A 91 26.785 5.373 -30.475 1.00 21.32 H new ATOM 346 N LYS A 92 30.109 6.286 -33.490 1.00 31.12 N ATOM 347 CA LYS A 92 31.301 6.614 -34.263 1.00 63.03 C ATOM 348 C LYS A 92 30.992 6.634 -35.757 1.00 75.23 C ATOM 349 O LYS A 92 31.396 7.550 -36.471 1.00 51.33 O ATOM 350 CB LYS A 92 32.415 5.606 -33.975 1.00 4.45 C ATOM 351 CG LYS A 92 33.790 6.238 -33.845 1.00 1.42 C ATOM 352 CD LYS A 92 33.925 7.014 -32.545 1.00 63.25 C ATOM 353 CE LYS A 92 35.261 6.741 -31.870 1.00 65.32 C ATOM 354 NZ LYS A 92 35.290 5.400 -31.222 1.00 44.20 N1+ ATOM 0 H LYS A 92 30.224 5.498 -32.853 1.00 31.12 H new ATOM 0 HA LYS A 92 31.634 7.608 -33.965 1.00 63.03 H new ATOM 0 HB2 LYS A 92 32.181 5.073 -33.054 1.00 4.45 H new ATOM 0 HB3 LYS A 92 32.439 4.866 -34.775 1.00 4.45 H new ATOM 0 HG2 LYS A 92 34.554 5.462 -33.888 1.00 1.42 H new ATOM 0 HG3 LYS A 92 33.966 6.905 -34.689 1.00 1.42 H new ATOM 0 HD2 LYS A 92 33.828 8.081 -32.745 1.00 63.25 H new ATOM 0 HD3 LYS A 92 33.113 6.741 -31.871 1.00 63.25 H new ATOM 0 HE2 LYS A 92 36.061 6.805 -32.608 1.00 65.32 H new ATOM 0 HE3 LYS A 92 35.454 7.510 -31.122 1.00 65.32 H new ATOM 0 HZ1 LYS A 92 36.216 5.251 -30.773 1.00 44.20 H new ATOM 0 HZ2 LYS A 92 34.543 5.347 -30.500 1.00 44.20 H new ATOM 0 HZ3 LYS A 92 35.131 4.664 -31.940 1.00 44.20 H new ATOM 368 N GLU A 93 30.273 5.617 -36.221 1.00 42.21 N ATOM 369 CA GLU A 93 29.909 5.519 -37.630 1.00 71.42 C ATOM 370 C GLU A 93 29.083 6.727 -38.064 1.00 60.11 C ATOM 371 O GLU A 93 29.331 7.315 -39.116 1.00 73.42 O ATOM 372 CB GLU A 93 29.126 4.231 -37.891 1.00 74.41 C ATOM 373 CG GLU A 93 28.612 4.108 -39.315 1.00 73.24 C ATOM 374 CD GLU A 93 27.936 2.777 -39.578 1.00 1.03 C ATOM 375 OE1 GLU A 93 26.693 2.755 -39.693 1.00 63.11 O ATOM 376 OE2 GLU A 93 28.650 1.756 -39.669 1.00 60.10 O1- ATOM 0 H GLU A 93 29.931 4.850 -35.642 1.00 42.21 H new ATOM 0 HA GLU A 93 30.829 5.500 -38.215 1.00 71.42 H new ATOM 0 HB2 GLU A 93 29.765 3.376 -37.670 1.00 74.41 H new ATOM 0 HB3 GLU A 93 28.281 4.184 -37.204 1.00 74.41 H new ATOM 0 HG2 GLU A 93 27.907 4.915 -39.514 1.00 73.24 H new ATOM 0 HG3 GLU A 93 29.443 4.233 -40.009 1.00 73.24 H new ATOM 383 N GLN A 94 28.100 7.089 -37.245 1.00 40.54 N ATOM 384 CA GLN A 94 27.237 8.224 -37.545 1.00 30.21 C ATOM 385 C GLN A 94 28.036 9.523 -37.577 1.00 52.42 C ATOM 386 O GLN A 94 27.735 10.430 -38.352 1.00 15.43 O ATOM 387 CB GLN A 94 26.115 8.327 -36.509 1.00 23.31 C ATOM 388 CG GLN A 94 24.993 7.325 -36.726 1.00 1.33 C ATOM 389 CD GLN A 94 23.780 7.613 -35.865 1.00 51.31 C ATOM 390 OE1 GLN A 94 23.337 8.757 -35.757 1.00 50.12 O ATOM 391 NE2 GLN A 94 23.233 6.573 -35.245 1.00 14.24 N ATOM 0 H GLN A 94 27.882 6.613 -36.370 1.00 40.54 H new ATOM 0 HA GLN A 94 26.799 8.064 -38.530 1.00 30.21 H new ATOM 0 HB2 GLN A 94 26.536 8.179 -35.514 1.00 23.31 H new ATOM 0 HB3 GLN A 94 25.701 9.335 -36.533 1.00 23.31 H new ATOM 0 HG2 GLN A 94 24.700 7.335 -37.776 1.00 1.33 H new ATOM 0 HG3 GLN A 94 25.359 6.322 -36.507 1.00 1.33 H new ATOM 0 HE21 GLN A 94 23.632 5.642 -35.362 1.00 14.24 H new ATOM 0 HE22 GLN A 94 22.414 6.706 -34.652 1.00 14.24 H new ATOM 400 N ALA A 95 29.055 9.605 -36.728 1.00 25.00 N ATOM 401 CA ALA A 95 29.899 10.792 -36.661 1.00 45.15 C ATOM 402 C ALA A 95 30.719 10.957 -37.935 1.00 70.10 C ATOM 403 O ALA A 95 30.596 11.960 -38.640 1.00 11.14 O ATOM 404 CB ALA A 95 30.814 10.720 -35.447 1.00 72.43 C ATOM 0 H ALA A 95 29.316 8.864 -36.077 1.00 25.00 H new ATOM 0 HA ALA A 95 29.251 11.663 -36.564 1.00 45.15 H new ATOM 0 HB1 ALA A 95 31.439 11.612 -35.409 1.00 72.43 H new ATOM 0 HB2 ALA A 95 30.212 10.660 -34.541 1.00 72.43 H new ATOM 0 HB3 ALA A 95 31.448 9.836 -35.521 1.00 72.43 H new ATOM 410 N LEU A 96 31.556 9.967 -38.227 1.00 21.34 N ATOM 411 CA LEU A 96 32.397 10.003 -39.418 1.00 71.41 C ATOM 412 C LEU A 96 31.555 10.198 -40.674 1.00 65.14 C ATOM 413 O LEU A 96 31.931 10.946 -41.578 1.00 60.24 O ATOM 414 CB LEU A 96 33.208 8.711 -39.531 1.00 41.41 C ATOM 415 CG LEU A 96 32.422 7.408 -39.375 1.00 21.20 C ATOM 416 CD1 LEU A 96 31.944 6.908 -40.730 1.00 0.51 C ATOM 417 CD2 LEU A 96 33.273 6.351 -38.685 1.00 62.41 C ATOM 0 H LEU A 96 31.670 9.130 -37.655 1.00 21.34 H new ATOM 0 HA LEU A 96 33.079 10.848 -39.326 1.00 71.41 H new ATOM 0 HB2 LEU A 96 33.702 8.700 -40.503 1.00 41.41 H new ATOM 0 HB3 LEU A 96 33.993 8.731 -38.775 1.00 41.41 H new ATOM 0 HG LEU A 96 31.548 7.605 -38.754 1.00 21.20 H new ATOM 0 HD11 LEU A 96 31.387 5.980 -40.600 1.00 0.51 H new ATOM 0 HD12 LEU A 96 31.298 7.658 -41.187 1.00 0.51 H new ATOM 0 HD13 LEU A 96 32.804 6.727 -41.375 1.00 0.51 H new ATOM 0 HD21 LEU A 96 32.698 5.431 -38.582 1.00 62.41 H new ATOM 0 HD22 LEU A 96 34.165 6.157 -39.280 1.00 62.41 H new ATOM 0 HD23 LEU A 96 33.566 6.708 -37.698 1.00 62.41 H new ATOM 429 N THR A 97 30.411 9.524 -40.725 1.00 53.12 N ATOM 430 CA THR A 97 29.514 9.625 -41.869 1.00 4.23 C ATOM 431 C THR A 97 29.045 11.061 -42.076 1.00 42.31 C ATOM 432 O THR A 97 29.159 11.609 -43.172 1.00 43.35 O ATOM 433 CB THR A 97 28.281 8.715 -41.700 1.00 75.23 C ATOM 434 OG1 THR A 97 27.730 8.877 -40.389 1.00 52.14 O ATOM 435 CG2 THR A 97 28.652 7.256 -41.924 1.00 3.45 C ATOM 0 H THR A 97 30.083 8.902 -39.986 1.00 53.12 H new ATOM 0 HA THR A 97 30.080 9.300 -42.742 1.00 4.23 H new ATOM 0 HB THR A 97 27.538 9.003 -42.444 1.00 75.23 H new ATOM 0 HG1 THR A 97 28.173 8.260 -39.769 1.00 52.14 H new ATOM 0 HG21 THR A 97 27.767 6.632 -41.800 1.00 3.45 H new ATOM 0 HG22 THR A 97 29.045 7.131 -42.933 1.00 3.45 H new ATOM 0 HG23 THR A 97 29.410 6.958 -41.200 1.00 3.45 H new ATOM 443 N PHE A 98 28.519 11.665 -41.016 1.00 64.32 N ATOM 444 CA PHE A 98 28.034 13.039 -41.081 1.00 20.12 C ATOM 445 C PHE A 98 29.191 14.017 -41.266 1.00 70.44 C ATOM 446 O PHE A 98 29.024 15.093 -41.840 1.00 24.53 O ATOM 447 CB PHE A 98 27.254 13.388 -39.812 1.00 4.32 C ATOM 448 CG PHE A 98 27.870 14.504 -39.018 1.00 40.02 C ATOM 449 CD1 PHE A 98 27.598 15.826 -39.331 1.00 53.24 C ATOM 450 CD2 PHE A 98 28.722 14.231 -37.960 1.00 24.22 C ATOM 451 CE1 PHE A 98 28.162 16.856 -38.601 1.00 22.31 C ATOM 452 CE2 PHE A 98 29.288 15.257 -37.226 1.00 2.32 C ATOM 453 CZ PHE A 98 29.009 16.571 -37.548 1.00 14.52 C ATOM 0 H PHE A 98 28.418 11.225 -40.101 1.00 64.32 H new ATOM 0 HA PHE A 98 27.370 13.123 -41.941 1.00 20.12 H new ATOM 0 HB2 PHE A 98 26.236 13.666 -40.086 1.00 4.32 H new ATOM 0 HB3 PHE A 98 27.184 12.501 -39.183 1.00 4.32 H new ATOM 0 HD1 PHE A 98 26.938 16.055 -40.155 1.00 53.24 H new ATOM 0 HD2 PHE A 98 28.946 13.206 -37.706 1.00 24.22 H new ATOM 0 HE1 PHE A 98 27.940 17.882 -38.854 1.00 22.31 H new ATOM 0 HE2 PHE A 98 29.948 15.031 -36.401 1.00 2.32 H new ATOM 0 HZ PHE A 98 29.452 17.374 -36.978 1.00 14.52 H new ATOM 463 N PHE A 99 30.365 13.634 -40.774 1.00 61.53 N ATOM 464 CA PHE A 99 31.550 14.476 -40.882 1.00 61.41 C ATOM 465 C PHE A 99 32.072 14.500 -42.315 1.00 60.30 C ATOM 466 O PHE A 99 32.369 15.563 -42.861 1.00 64.11 O ATOM 467 CB PHE A 99 32.645 13.977 -39.937 1.00 43.00 C ATOM 468 CG PHE A 99 33.959 14.683 -40.116 1.00 53.40 C ATOM 469 CD1 PHE A 99 35.136 13.963 -40.236 1.00 21.55 C ATOM 470 CD2 PHE A 99 34.016 16.067 -40.162 1.00 22.21 C ATOM 471 CE1 PHE A 99 36.347 14.609 -40.402 1.00 40.42 C ATOM 472 CE2 PHE A 99 35.225 16.719 -40.328 1.00 44.24 C ATOM 473 CZ PHE A 99 36.391 15.989 -40.446 1.00 54.34 C ATOM 0 H PHE A 99 30.521 12.746 -40.297 1.00 61.53 H new ATOM 0 HA PHE A 99 31.270 15.491 -40.599 1.00 61.41 H new ATOM 0 HB2 PHE A 99 32.311 14.104 -38.907 1.00 43.00 H new ATOM 0 HB3 PHE A 99 32.791 12.909 -40.095 1.00 43.00 H new ATOM 0 HD1 PHE A 99 35.107 12.884 -40.199 1.00 21.55 H new ATOM 0 HD2 PHE A 99 33.107 16.643 -40.067 1.00 22.21 H new ATOM 0 HE1 PHE A 99 37.257 14.036 -40.497 1.00 40.42 H new ATOM 0 HE2 PHE A 99 35.257 17.798 -40.365 1.00 44.24 H new ATOM 0 HZ PHE A 99 37.336 16.496 -40.573 1.00 54.34 H new ATOM 483 N GLN A 100 32.181 13.320 -42.919 1.00 31.14 N ATOM 484 CA GLN A 100 32.668 13.205 -44.288 1.00 2.22 C ATOM 485 C GLN A 100 31.602 13.650 -45.284 1.00 64.05 C ATOM 486 O GLN A 100 31.898 14.343 -46.257 1.00 14.00 O ATOM 487 CB GLN A 100 33.089 11.765 -44.582 1.00 53.03 C ATOM 488 CG GLN A 100 34.407 11.372 -43.935 1.00 64.35 C ATOM 489 CD GLN A 100 34.551 9.872 -43.770 1.00 33.11 C ATOM 490 OE1 GLN A 100 35.502 9.270 -44.271 1.00 24.00 O ATOM 491 NE2 GLN A 100 33.608 9.260 -43.065 1.00 14.41 N ATOM 0 H GLN A 100 31.939 12.431 -42.481 1.00 31.14 H new ATOM 0 HA GLN A 100 33.534 13.858 -44.395 1.00 2.22 H new ATOM 0 HB2 GLN A 100 32.308 11.089 -44.235 1.00 53.03 H new ATOM 0 HB3 GLN A 100 33.170 11.632 -45.661 1.00 53.03 H new ATOM 0 HG2 GLN A 100 35.231 11.748 -44.541 1.00 64.35 H new ATOM 0 HG3 GLN A 100 34.485 11.850 -42.959 1.00 64.35 H new ATOM 0 HE21 GLN A 100 32.838 9.798 -42.668 1.00 14.41 H new ATOM 0 HE22 GLN A 100 33.653 8.251 -42.920 1.00 14.41 H new ATOM 500 N GLU A 101 30.360 13.245 -45.035 1.00 35.51 N ATOM 501 CA GLU A 101 29.251 13.601 -45.911 1.00 4.42 C ATOM 502 C GLU A 101 28.943 15.093 -45.822 1.00 73.11 C ATOM 503 O GLU A 101 28.593 15.727 -46.817 1.00 13.41 O ATOM 504 CB GLU A 101 28.005 12.790 -45.549 1.00 74.32 C ATOM 505 CG GLU A 101 26.879 12.917 -46.562 1.00 62.12 C ATOM 506 CD GLU A 101 27.025 11.951 -47.721 1.00 61.35 C ATOM 507 OE1 GLU A 101 27.361 10.774 -47.474 1.00 22.34 O ATOM 508 OE2 GLU A 101 26.803 12.372 -48.875 1.00 61.22 O1- ATOM 0 H GLU A 101 30.098 12.670 -44.234 1.00 35.51 H new ATOM 0 HA GLU A 101 29.543 13.369 -46.935 1.00 4.42 H new ATOM 0 HB2 GLU A 101 28.280 11.740 -45.455 1.00 74.32 H new ATOM 0 HB3 GLU A 101 27.642 13.113 -44.573 1.00 74.32 H new ATOM 0 HG2 GLU A 101 25.926 12.740 -46.064 1.00 62.12 H new ATOM 0 HG3 GLU A 101 26.854 13.937 -46.945 1.00 62.12 H new ATOM 515 N HIS A 102 29.076 15.647 -44.621 1.00 15.43 N ATOM 516 CA HIS A 102 28.813 17.065 -44.400 1.00 21.40 C ATOM 517 C HIS A 102 29.871 17.678 -43.488 1.00 72.54 C ATOM 518 O HIS A 102 29.624 17.969 -42.317 1.00 40.35 O ATOM 519 CB HIS A 102 27.424 17.258 -43.790 1.00 2.24 C ATOM 520 CG HIS A 102 26.307 16.879 -44.713 1.00 13.40 C ATOM 521 ND1 HIS A 102 25.270 16.050 -44.339 1.00 73.30 N ATOM 522 CD2 HIS A 102 26.067 17.221 -46.001 1.00 34.24 C ATOM 523 CE1 HIS A 102 24.442 15.897 -45.357 1.00 44.23 C ATOM 524 NE2 HIS A 102 24.902 16.599 -46.377 1.00 62.12 N ATOM 0 H HIS A 102 29.364 15.136 -43.786 1.00 15.43 H new ATOM 0 HA HIS A 102 28.852 17.571 -45.364 1.00 21.40 H new ATOM 0 HB2 HIS A 102 27.350 16.663 -42.880 1.00 2.24 H new ATOM 0 HB3 HIS A 102 27.306 18.302 -43.499 1.00 2.24 H new ATOM 0 HD2 HIS A 102 26.678 17.863 -46.618 1.00 34.24 H new ATOM 0 HE1 HIS A 102 23.542 15.300 -45.355 1.00 44.23 H new ATOM 0 HE2 HIS A 102 24.463 16.668 -47.295 1.00 62.12 H new ATOM 533 N PRO A 103 31.079 17.880 -44.035 1.00 40.25 N ATOM 534 CA PRO A 103 32.199 18.460 -43.289 1.00 34.11 C ATOM 535 C PRO A 103 31.985 19.937 -42.978 1.00 22.13 C ATOM 536 O PRO A 103 32.064 20.785 -43.866 1.00 74.22 O ATOM 537 CB PRO A 103 33.388 18.280 -44.235 1.00 54.42 C ATOM 538 CG PRO A 103 32.784 18.220 -45.595 1.00 30.51 C ATOM 539 CD PRO A 103 31.444 17.557 -45.424 1.00 20.03 C ATOM 0 HA PRO A 103 32.333 17.982 -42.319 1.00 34.11 H new ATOM 0 HB2 PRO A 103 34.091 19.109 -44.150 1.00 54.42 H new ATOM 0 HB3 PRO A 103 33.941 17.369 -44.007 1.00 54.42 H new ATOM 0 HG2 PRO A 103 32.674 19.219 -46.018 1.00 30.51 H new ATOM 0 HG3 PRO A 103 33.416 17.652 -46.278 1.00 30.51 H new ATOM 0 HD2 PRO A 103 30.711 17.943 -46.132 1.00 20.03 H new ATOM 0 HD3 PRO A 103 31.505 16.480 -45.584 1.00 20.03 H new ATOM 547 N GLN A 104 31.715 20.239 -41.711 1.00 53.52 N ATOM 548 CA GLN A 104 31.490 21.614 -41.284 1.00 32.12 C ATOM 549 C GLN A 104 32.801 22.394 -41.245 1.00 3.31 C ATOM 550 O GLN A 104 32.835 23.586 -41.551 1.00 4.35 O ATOM 551 CB GLN A 104 30.826 21.641 -39.907 1.00 52.22 C ATOM 552 CG GLN A 104 30.452 23.038 -39.438 1.00 72.42 C ATOM 553 CD GLN A 104 29.279 23.616 -40.207 1.00 53.42 C ATOM 554 OE1 GLN A 104 28.149 23.635 -39.717 1.00 50.22 O ATOM 555 NE2 GLN A 104 29.542 24.093 -41.418 1.00 43.34 N ATOM 0 H GLN A 104 31.647 19.549 -40.963 1.00 53.52 H new ATOM 0 HA GLN A 104 30.828 22.088 -42.008 1.00 32.12 H new ATOM 0 HB2 GLN A 104 29.928 21.023 -39.934 1.00 52.22 H new ATOM 0 HB3 GLN A 104 31.501 21.191 -39.179 1.00 52.22 H new ATOM 0 HG2 GLN A 104 30.206 23.007 -38.376 1.00 72.42 H new ATOM 0 HG3 GLN A 104 31.313 23.697 -39.547 1.00 72.42 H new ATOM 0 HE21 GLN A 104 30.493 24.057 -41.785 1.00 43.34 H new ATOM 0 HE22 GLN A 104 28.793 24.495 -41.981 1.00 43.34 H new ATOM 564 N TYR A 105 33.877 21.713 -40.867 1.00 14.32 N ATOM 565 CA TYR A 105 35.190 22.343 -40.786 1.00 65.43 C ATOM 566 C TYR A 105 35.724 22.671 -42.177 1.00 72.42 C ATOM 567 O TYR A 105 36.391 23.686 -42.374 1.00 15.51 O ATOM 568 CB TYR A 105 36.173 21.428 -40.053 1.00 13.44 C ATOM 569 CG TYR A 105 37.563 22.008 -39.930 1.00 21.04 C ATOM 570 CD1 TYR A 105 38.679 21.277 -40.319 1.00 65.10 C ATOM 571 CD2 TYR A 105 37.762 23.286 -39.424 1.00 30.42 C ATOM 572 CE1 TYR A 105 39.951 21.802 -40.208 1.00 40.14 C ATOM 573 CE2 TYR A 105 39.031 23.820 -39.311 1.00 62.22 C ATOM 574 CZ TYR A 105 40.123 23.075 -39.704 1.00 63.32 C ATOM 575 OH TYR A 105 41.388 23.602 -39.592 1.00 2.35 O ATOM 0 H TYR A 105 33.866 20.725 -40.612 1.00 14.32 H new ATOM 0 HA TYR A 105 35.085 23.274 -40.229 1.00 65.43 H new ATOM 0 HB2 TYR A 105 35.786 21.218 -39.056 1.00 13.44 H new ATOM 0 HB3 TYR A 105 36.231 20.475 -40.579 1.00 13.44 H new ATOM 0 HD1 TYR A 105 38.549 20.281 -40.715 1.00 65.10 H new ATOM 0 HD2 TYR A 105 36.910 23.872 -39.114 1.00 30.42 H new ATOM 0 HE1 TYR A 105 40.807 21.219 -40.514 1.00 40.14 H new ATOM 0 HE2 TYR A 105 39.167 24.816 -38.917 1.00 62.22 H new ATOM 0 HH TYR A 105 41.334 24.507 -39.220 1.00 2.35 H new ATOM 585 N MET A 106 35.425 21.803 -43.139 1.00 2.13 N ATOM 586 CA MET A 106 35.873 22.001 -44.512 1.00 12.33 C ATOM 587 C MET A 106 35.041 23.074 -45.206 1.00 34.43 C ATOM 588 O MET A 106 35.489 23.693 -46.172 1.00 14.31 O ATOM 589 CB MET A 106 35.787 20.689 -45.293 1.00 2.20 C ATOM 590 CG MET A 106 36.660 20.663 -46.538 1.00 33.23 C ATOM 591 SD MET A 106 38.415 20.517 -46.151 1.00 45.54 S ATOM 592 CE MET A 106 38.983 19.524 -47.529 1.00 62.30 C ATOM 0 H MET A 106 34.875 20.957 -42.992 1.00 2.13 H new ATOM 0 HA MET A 106 36.911 22.332 -44.485 1.00 12.33 H new ATOM 0 HB2 MET A 106 36.077 19.867 -44.639 1.00 2.20 H new ATOM 0 HB3 MET A 106 34.751 20.516 -45.583 1.00 2.20 H new ATOM 0 HG2 MET A 106 36.360 19.827 -47.170 1.00 33.23 H new ATOM 0 HG3 MET A 106 36.493 21.574 -47.113 1.00 33.23 H new ATOM 0 HE1 MET A 106 40.054 19.347 -47.433 1.00 62.30 H new ATOM 0 HE2 MET A 106 38.456 18.570 -47.531 1.00 62.30 H new ATOM 0 HE3 MET A 106 38.785 20.050 -48.463 1.00 62.30 H new ATOM 602 N ARG A 107 33.827 23.290 -44.708 1.00 64.32 N ATOM 603 CA ARG A 107 32.932 24.288 -45.282 1.00 35.05 C ATOM 604 C ARG A 107 33.145 25.650 -44.626 1.00 22.20 C ATOM 605 O ARG A 107 33.211 26.674 -45.307 1.00 15.10 O ATOM 606 CB ARG A 107 31.476 23.852 -45.117 1.00 40.51 C ATOM 607 CG ARG A 107 30.496 24.684 -45.929 1.00 44.25 C ATOM 608 CD ARG A 107 29.057 24.397 -45.529 1.00 14.22 C ATOM 609 NE ARG A 107 28.114 24.746 -46.589 1.00 62.33 N ATOM 610 CZ ARG A 107 26.794 24.702 -46.442 1.00 43.41 C ATOM 611 NH1 ARG A 107 26.265 24.326 -45.286 1.00 11.24 N1+ ATOM 612 NH2 ARG A 107 26.002 25.034 -47.453 1.00 71.14 N ATOM 0 H ARG A 107 33.441 22.787 -43.909 1.00 64.32 H new ATOM 0 HA ARG A 107 33.159 24.376 -46.344 1.00 35.05 H new ATOM 0 HB2 ARG A 107 31.383 22.807 -45.411 1.00 40.51 H new ATOM 0 HB3 ARG A 107 31.205 23.912 -44.063 1.00 40.51 H new ATOM 0 HG2 ARG A 107 30.710 25.743 -45.786 1.00 44.25 H new ATOM 0 HG3 ARG A 107 30.629 24.472 -46.990 1.00 44.25 H new ATOM 0 HD2 ARG A 107 28.953 23.340 -45.285 1.00 14.22 H new ATOM 0 HD3 ARG A 107 28.813 24.958 -44.627 1.00 14.22 H new ATOM 0 HE ARG A 107 28.489 25.039 -47.491 1.00 62.33 H new ATOM 0 HH11 ARG A 107 26.871 24.070 -44.507 1.00 11.24 H new ATOM 0 HH12 ARG A 107 25.252 24.293 -45.176 1.00 11.24 H new ATOM 0 HH21 ARG A 107 26.406 25.323 -48.344 1.00 71.14 H new ATOM 0 HH22 ARG A 107 24.989 25.000 -47.340 1.00 71.14 H new ATOM 626 N SER A 108 33.251 25.653 -43.302 1.00 32.45 N ATOM 627 CA SER A 108 33.451 26.889 -42.554 1.00 62.54 C ATOM 628 C SER A 108 34.104 26.607 -41.204 1.00 72.04 C ATOM 629 O SER A 108 33.461 26.107 -40.282 1.00 3.11 O ATOM 630 CB SER A 108 32.116 27.607 -42.347 1.00 72.53 C ATOM 631 OG SER A 108 31.810 28.442 -43.451 1.00 0.01 O ATOM 0 H SER A 108 33.202 24.814 -42.724 1.00 32.45 H new ATOM 0 HA SER A 108 34.115 27.531 -43.133 1.00 62.54 H new ATOM 0 HB2 SER A 108 31.322 26.873 -42.211 1.00 72.53 H new ATOM 0 HB3 SER A 108 32.158 28.204 -41.436 1.00 72.53 H new ATOM 0 HG SER A 108 32.177 28.049 -44.270 1.00 0.01 H new ATOM 637 N LYS A 109 35.388 26.933 -41.097 1.00 71.21 N ATOM 638 CA LYS A 109 36.132 26.717 -39.861 1.00 31.02 C ATOM 639 C LYS A 109 35.395 27.324 -38.671 1.00 3.25 C ATOM 640 O LYS A 109 35.411 26.770 -37.572 1.00 50.22 O ATOM 641 CB LYS A 109 37.532 27.325 -39.971 1.00 21.34 C ATOM 642 CG LYS A 109 37.528 28.814 -40.267 1.00 52.33 C ATOM 643 CD LYS A 109 38.931 29.336 -40.525 1.00 1.02 C ATOM 644 CE LYS A 109 39.386 29.030 -41.945 1.00 51.12 C ATOM 645 NZ LYS A 109 40.033 27.693 -42.045 1.00 73.22 N1+ ATOM 0 H LYS A 109 35.935 27.348 -41.851 1.00 71.21 H new ATOM 0 HA LYS A 109 36.221 25.642 -39.702 1.00 31.02 H new ATOM 0 HB2 LYS A 109 38.069 27.150 -39.039 1.00 21.34 H new ATOM 0 HB3 LYS A 109 38.082 26.808 -40.757 1.00 21.34 H new ATOM 0 HG2 LYS A 109 36.900 29.011 -41.136 1.00 52.33 H new ATOM 0 HG3 LYS A 109 37.088 29.351 -39.427 1.00 52.33 H new ATOM 0 HD2 LYS A 109 38.957 30.413 -40.357 1.00 1.02 H new ATOM 0 HD3 LYS A 109 39.624 28.886 -39.814 1.00 1.02 H new ATOM 0 HE2 LYS A 109 38.529 29.070 -42.617 1.00 51.12 H new ATOM 0 HE3 LYS A 109 40.086 29.798 -42.275 1.00 51.12 H new ATOM 0 HZ1 LYS A 109 40.959 27.789 -42.508 1.00 73.22 H new ATOM 0 HZ2 LYS A 109 40.162 27.298 -41.092 1.00 73.22 H new ATOM 0 HZ3 LYS A 109 39.430 27.057 -42.605 1.00 73.22 H new ATOM 659 N GLU A 110 34.750 28.464 -38.898 1.00 44.12 N ATOM 660 CA GLU A 110 34.007 29.144 -37.843 1.00 65.03 C ATOM 661 C GLU A 110 32.751 28.362 -37.470 1.00 4.22 C ATOM 662 O GLU A 110 32.410 28.239 -36.293 1.00 42.42 O ATOM 663 CB GLU A 110 33.627 30.559 -38.287 1.00 51.22 C ATOM 664 CG GLU A 110 32.793 30.594 -39.556 1.00 52.11 C ATOM 665 CD GLU A 110 32.933 31.903 -40.310 1.00 73.11 C ATOM 666 OE1 GLU A 110 33.780 31.973 -41.225 1.00 50.24 O ATOM 667 OE2 GLU A 110 32.196 32.857 -39.984 1.00 64.00 O1- ATOM 0 H GLU A 110 34.727 28.936 -39.802 1.00 44.12 H new ATOM 0 HA GLU A 110 34.649 29.206 -36.964 1.00 65.03 H new ATOM 0 HB2 GLU A 110 33.073 31.046 -37.485 1.00 51.22 H new ATOM 0 HB3 GLU A 110 34.537 31.138 -38.444 1.00 51.22 H new ATOM 0 HG2 GLU A 110 33.092 29.771 -40.205 1.00 52.11 H new ATOM 0 HG3 GLU A 110 31.745 30.435 -39.302 1.00 52.11 H new ATOM 674 N ASP A 111 32.068 27.834 -38.480 1.00 31.12 N ATOM 675 CA ASP A 111 30.851 27.063 -38.259 1.00 2.31 C ATOM 676 C ASP A 111 31.141 25.816 -37.429 1.00 54.23 C ATOM 677 O ASP A 111 30.378 25.468 -36.528 1.00 72.33 O ATOM 678 CB ASP A 111 30.223 26.666 -39.596 1.00 61.15 C ATOM 679 CG ASP A 111 28.713 26.561 -39.519 1.00 72.04 C ATOM 680 OD1 ASP A 111 28.081 26.309 -40.566 1.00 62.34 O ATOM 681 OD2 ASP A 111 28.162 26.732 -38.411 1.00 75.41 O1- ATOM 0 H ASP A 111 32.337 27.926 -39.460 1.00 31.12 H new ATOM 0 HA ASP A 111 30.149 27.689 -37.708 1.00 2.31 H new ATOM 0 HB2 ASP A 111 30.495 27.401 -40.354 1.00 61.15 H new ATOM 0 HB3 ASP A 111 30.635 25.709 -39.917 1.00 61.15 H new ATOM 686 N GLU A 112 32.247 25.148 -37.740 1.00 32.13 N ATOM 687 CA GLU A 112 32.635 23.939 -37.024 1.00 62.34 C ATOM 688 C GLU A 112 32.635 24.175 -35.517 1.00 34.15 C ATOM 689 O GLU A 112 32.069 23.391 -34.755 1.00 35.11 O ATOM 690 CB GLU A 112 34.020 23.473 -37.478 1.00 32.10 C ATOM 691 CG GLU A 112 34.474 22.182 -36.817 1.00 0.21 C ATOM 692 CD GLU A 112 35.984 22.090 -36.694 1.00 23.14 C ATOM 693 OE1 GLU A 112 36.625 23.138 -36.473 1.00 62.45 O ATOM 694 OE2 GLU A 112 36.522 20.971 -36.819 1.00 14.24 O1- ATOM 0 H GLU A 112 32.890 25.423 -38.483 1.00 32.13 H new ATOM 0 HA GLU A 112 31.905 23.163 -37.253 1.00 62.34 H new ATOM 0 HB2 GLU A 112 34.011 23.334 -38.559 1.00 32.10 H new ATOM 0 HB3 GLU A 112 34.746 24.257 -37.263 1.00 32.10 H new ATOM 0 HG2 GLU A 112 34.027 22.109 -35.826 1.00 0.21 H new ATOM 0 HG3 GLU A 112 34.108 21.334 -37.395 1.00 0.21 H new ATOM 701 N GLU A 113 33.273 25.263 -35.094 1.00 34.35 N ATOM 702 CA GLU A 113 33.348 25.601 -33.678 1.00 1.04 C ATOM 703 C GLU A 113 31.952 25.802 -33.092 1.00 62.52 C ATOM 704 O GLU A 113 31.578 25.152 -32.117 1.00 62.44 O ATOM 705 CB GLU A 113 34.184 26.866 -33.477 1.00 30.23 C ATOM 706 CG GLU A 113 34.286 27.305 -32.026 1.00 33.05 C ATOM 707 CD GLU A 113 34.990 28.639 -31.868 1.00 2.32 C ATOM 708 OE1 GLU A 113 35.692 29.054 -32.813 1.00 5.24 O ATOM 709 OE2 GLU A 113 34.839 29.267 -30.799 1.00 53.21 O1- ATOM 0 H GLU A 113 33.744 25.924 -35.711 1.00 34.35 H new ATOM 0 HA GLU A 113 33.826 24.771 -33.157 1.00 1.04 H new ATOM 0 HB2 GLU A 113 35.187 26.694 -33.867 1.00 30.23 H new ATOM 0 HB3 GLU A 113 33.749 27.676 -34.063 1.00 30.23 H new ATOM 0 HG2 GLU A 113 33.285 27.374 -31.600 1.00 33.05 H new ATOM 0 HG3 GLU A 113 34.823 26.546 -31.457 1.00 33.05 H new ATOM 716 N GLN A 114 31.189 26.709 -33.696 1.00 21.15 N ATOM 717 CA GLN A 114 29.837 26.997 -33.233 1.00 15.15 C ATOM 718 C GLN A 114 29.022 25.715 -33.103 1.00 12.24 C ATOM 719 O GLN A 114 28.306 25.518 -32.119 1.00 54.31 O ATOM 720 CB GLN A 114 29.141 27.961 -34.195 1.00 72.44 C ATOM 721 CG GLN A 114 29.871 29.284 -34.364 1.00 22.33 C ATOM 722 CD GLN A 114 30.392 29.835 -33.051 1.00 62.33 C ATOM 723 OE1 GLN A 114 29.624 30.084 -32.121 1.00 32.25 O ATOM 724 NE2 GLN A 114 31.703 30.029 -32.968 1.00 40.41 N ATOM 0 H GLN A 114 31.484 27.255 -34.505 1.00 21.15 H new ATOM 0 HA GLN A 114 29.908 27.463 -32.250 1.00 15.15 H new ATOM 0 HB2 GLN A 114 29.044 27.482 -35.169 1.00 72.44 H new ATOM 0 HB3 GLN A 114 28.131 28.156 -33.834 1.00 72.44 H new ATOM 0 HG2 GLN A 114 30.705 29.149 -35.053 1.00 22.33 H new ATOM 0 HG3 GLN A 114 29.197 30.011 -34.817 1.00 22.33 H new ATOM 0 HE21 GLN A 114 32.302 29.809 -33.763 1.00 40.41 H new ATOM 0 HE22 GLN A 114 32.111 30.398 -32.109 1.00 40.41 H new ATOM 733 N LEU A 115 29.133 24.844 -34.100 1.00 24.11 N ATOM 734 CA LEU A 115 28.406 23.579 -34.097 1.00 72.35 C ATOM 735 C LEU A 115 28.873 22.686 -32.953 1.00 40.11 C ATOM 736 O LEU A 115 28.069 22.000 -32.320 1.00 41.13 O ATOM 737 CB LEU A 115 28.594 22.857 -35.432 1.00 4.21 C ATOM 738 CG LEU A 115 27.363 22.137 -35.985 1.00 72.30 C ATOM 739 CD1 LEU A 115 27.593 21.717 -37.428 1.00 43.40 C ATOM 740 CD2 LEU A 115 27.021 20.929 -35.124 1.00 4.03 C ATOM 0 H LEU A 115 29.720 24.991 -34.921 1.00 24.11 H new ATOM 0 HA LEU A 115 27.347 23.797 -33.955 1.00 72.35 H new ATOM 0 HB2 LEU A 115 28.927 23.585 -36.172 1.00 4.21 H new ATOM 0 HB3 LEU A 115 29.396 22.128 -35.318 1.00 4.21 H new ATOM 0 HG LEU A 115 26.520 22.827 -35.960 1.00 72.30 H new ATOM 0 HD11 LEU A 115 26.706 21.206 -37.804 1.00 43.40 H new ATOM 0 HD12 LEU A 115 27.789 22.599 -38.037 1.00 43.40 H new ATOM 0 HD13 LEU A 115 28.449 21.044 -37.479 1.00 43.40 H new ATOM 0 HD21 LEU A 115 26.143 20.428 -35.532 1.00 4.03 H new ATOM 0 HD22 LEU A 115 27.863 20.237 -35.118 1.00 4.03 H new ATOM 0 HD23 LEU A 115 26.812 21.256 -34.105 1.00 4.03 H new ATOM 752 N MET A 116 30.175 22.700 -32.690 1.00 70.42 N ATOM 753 CA MET A 116 30.748 21.894 -31.619 1.00 64.52 C ATOM 754 C MET A 116 30.178 22.303 -30.265 1.00 75.03 C ATOM 755 O MET A 116 29.573 21.491 -29.563 1.00 41.14 O ATOM 756 CB MET A 116 32.272 22.033 -31.606 1.00 43.44 C ATOM 757 CG MET A 116 32.945 21.236 -30.500 1.00 45.44 C ATOM 758 SD MET A 116 33.595 22.287 -29.186 1.00 64.42 S ATOM 759 CE MET A 116 35.351 22.216 -29.533 1.00 64.32 C ATOM 0 H MET A 116 30.854 23.261 -33.204 1.00 70.42 H new ATOM 0 HA MET A 116 30.486 20.852 -31.804 1.00 64.52 H new ATOM 0 HB2 MET A 116 32.667 21.708 -32.569 1.00 43.44 H new ATOM 0 HB3 MET A 116 32.532 23.086 -31.494 1.00 43.44 H new ATOM 0 HG2 MET A 116 32.228 20.532 -30.077 1.00 45.44 H new ATOM 0 HG3 MET A 116 33.758 20.647 -30.925 1.00 45.44 H new ATOM 0 HE1 MET A 116 35.891 22.819 -28.803 1.00 64.32 H new ATOM 0 HE2 MET A 116 35.692 21.182 -29.473 1.00 64.32 H new ATOM 0 HE3 MET A 116 35.540 22.603 -30.534 1.00 64.32 H new ATOM 769 N THR A 117 30.373 23.567 -29.903 1.00 23.24 N ATOM 770 CA THR A 117 29.879 24.083 -28.633 1.00 45.12 C ATOM 771 C THR A 117 28.381 23.839 -28.485 1.00 55.01 C ATOM 772 O THR A 117 27.920 23.369 -27.446 1.00 75.24 O ATOM 773 CB THR A 117 30.158 25.591 -28.493 1.00 45.34 C ATOM 774 OG1 THR A 117 29.520 26.100 -27.316 1.00 40.01 O ATOM 775 CG2 THR A 117 29.660 26.349 -29.714 1.00 22.51 C ATOM 0 H THR A 117 30.870 24.252 -30.472 1.00 23.24 H new ATOM 0 HA THR A 117 30.411 23.548 -27.846 1.00 45.12 H new ATOM 0 HB THR A 117 31.236 25.733 -28.412 1.00 45.34 H new ATOM 0 HG1 THR A 117 29.703 27.059 -27.233 1.00 40.01 H new ATOM 0 HG21 THR A 117 29.868 27.412 -29.592 1.00 22.51 H new ATOM 0 HG22 THR A 117 30.169 25.979 -30.604 1.00 22.51 H new ATOM 0 HG23 THR A 117 28.586 26.200 -29.822 1.00 22.51 H new ATOM 783 N GLU A 118 27.628 24.160 -29.532 1.00 13.24 N ATOM 784 CA GLU A 118 26.182 23.976 -29.518 1.00 64.41 C ATOM 785 C GLU A 118 25.823 22.495 -29.425 1.00 71.35 C ATOM 786 O GLU A 118 24.837 22.122 -28.790 1.00 2.31 O ATOM 787 CB GLU A 118 25.555 24.586 -30.772 1.00 42.20 C ATOM 788 CG GLU A 118 24.060 24.830 -30.648 1.00 62.40 C ATOM 789 CD GLU A 118 23.738 26.190 -30.061 1.00 32.23 C ATOM 790 OE1 GLU A 118 24.686 26.925 -29.711 1.00 73.11 O ATOM 791 OE2 GLU A 118 22.539 26.521 -29.950 1.00 51.30 O1- ATOM 0 H GLU A 118 27.995 24.549 -30.401 1.00 13.24 H new ATOM 0 HA GLU A 118 25.786 24.485 -28.639 1.00 64.41 H new ATOM 0 HB2 GLU A 118 26.052 25.531 -30.994 1.00 42.20 H new ATOM 0 HB3 GLU A 118 25.738 23.924 -31.618 1.00 42.20 H new ATOM 0 HG2 GLU A 118 23.599 24.745 -31.632 1.00 62.40 H new ATOM 0 HG3 GLU A 118 23.620 24.054 -30.021 1.00 62.40 H new ATOM 798 N PHE A 119 26.632 21.656 -30.064 1.00 72.35 N ATOM 799 CA PHE A 119 26.399 20.216 -30.057 1.00 31.24 C ATOM 800 C PHE A 119 26.642 19.634 -28.667 1.00 51.21 C ATOM 801 O PHE A 119 26.072 18.605 -28.304 1.00 74.52 O ATOM 802 CB PHE A 119 27.308 19.526 -31.077 1.00 12.54 C ATOM 803 CG PHE A 119 27.556 18.076 -30.775 1.00 75.54 C ATOM 804 CD1 PHE A 119 28.701 17.681 -30.101 1.00 23.24 C ATOM 805 CD2 PHE A 119 26.645 17.108 -31.164 1.00 75.44 C ATOM 806 CE1 PHE A 119 28.932 16.348 -29.821 1.00 34.02 C ATOM 807 CE2 PHE A 119 26.870 15.773 -30.887 1.00 3.12 C ATOM 808 CZ PHE A 119 28.016 15.393 -30.216 1.00 63.33 C ATOM 0 H PHE A 119 27.454 21.948 -30.593 1.00 72.35 H new ATOM 0 HA PHE A 119 25.359 20.039 -30.330 1.00 31.24 H new ATOM 0 HB2 PHE A 119 26.860 19.611 -32.067 1.00 12.54 H new ATOM 0 HB3 PHE A 119 28.263 20.050 -31.113 1.00 12.54 H new ATOM 0 HD1 PHE A 119 29.421 18.424 -29.791 1.00 23.24 H new ATOM 0 HD2 PHE A 119 25.748 17.400 -31.690 1.00 75.44 H new ATOM 0 HE1 PHE A 119 29.827 16.053 -29.294 1.00 34.02 H new ATOM 0 HE2 PHE A 119 26.151 15.028 -31.195 1.00 3.12 H new ATOM 0 HZ PHE A 119 28.195 14.350 -30.000 1.00 63.33 H new ATOM 818 N LYS A 120 27.494 20.299 -27.894 1.00 14.44 N ATOM 819 CA LYS A 120 27.813 19.851 -26.544 1.00 23.11 C ATOM 820 C LYS A 120 26.758 20.322 -25.550 1.00 34.44 C ATOM 821 O LYS A 120 26.499 19.662 -24.542 1.00 62.52 O ATOM 822 CB LYS A 120 29.191 20.368 -26.125 1.00 32.24 C ATOM 823 CG LYS A 120 30.320 19.392 -26.410 1.00 15.35 C ATOM 824 CD LYS A 120 31.624 20.116 -26.699 1.00 0.00 C ATOM 825 CE LYS A 120 32.063 20.967 -25.517 1.00 12.11 C ATOM 826 NZ LYS A 120 32.332 20.141 -24.308 1.00 75.10 N1+ ATOM 0 H LYS A 120 27.976 21.151 -28.180 1.00 14.44 H new ATOM 0 HA LYS A 120 27.825 18.761 -26.544 1.00 23.11 H new ATOM 0 HB2 LYS A 120 29.392 21.305 -26.645 1.00 32.24 H new ATOM 0 HB3 LYS A 120 29.177 20.592 -25.058 1.00 32.24 H new ATOM 0 HG2 LYS A 120 30.453 18.729 -25.555 1.00 15.35 H new ATOM 0 HG3 LYS A 120 30.054 18.766 -27.262 1.00 15.35 H new ATOM 0 HD2 LYS A 120 32.401 19.388 -26.933 1.00 0.00 H new ATOM 0 HD3 LYS A 120 31.503 20.748 -27.579 1.00 0.00 H new ATOM 0 HE2 LYS A 120 32.962 21.523 -25.784 1.00 12.11 H new ATOM 0 HE3 LYS A 120 31.289 21.701 -25.291 1.00 12.11 H new ATOM 0 HZ1 LYS A 120 32.803 20.724 -23.587 1.00 75.10 H new ATOM 0 HZ2 LYS A 120 31.434 19.779 -23.928 1.00 75.10 H new ATOM 0 HZ3 LYS A 120 32.947 19.342 -24.563 1.00 75.10 H new ATOM 840 N LYS A 121 26.149 21.467 -25.839 1.00 31.11 N ATOM 841 CA LYS A 121 25.118 22.027 -24.973 1.00 75.21 C ATOM 842 C LYS A 121 23.768 21.368 -25.236 1.00 2.10 C ATOM 843 O LYS A 121 22.950 21.222 -24.328 1.00 52.44 O ATOM 844 CB LYS A 121 25.010 23.539 -25.184 1.00 1.02 C ATOM 845 CG LYS A 121 23.925 23.938 -26.169 1.00 1.41 C ATOM 846 CD LYS A 121 24.070 25.388 -26.600 1.00 43.52 C ATOM 847 CE LYS A 121 23.816 26.342 -25.443 1.00 20.23 C ATOM 848 NZ LYS A 121 23.217 27.625 -25.903 1.00 31.14 N1+ ATOM 0 H LYS A 121 26.352 22.026 -26.668 1.00 31.11 H new ATOM 0 HA LYS A 121 25.402 21.831 -23.939 1.00 75.21 H new ATOM 0 HB2 LYS A 121 24.813 24.018 -24.225 1.00 1.02 H new ATOM 0 HB3 LYS A 121 25.969 23.918 -25.539 1.00 1.02 H new ATOM 0 HG2 LYS A 121 23.971 23.291 -27.045 1.00 1.41 H new ATOM 0 HG3 LYS A 121 22.946 23.789 -25.714 1.00 1.41 H new ATOM 0 HD2 LYS A 121 25.072 25.553 -26.995 1.00 43.52 H new ATOM 0 HD3 LYS A 121 23.370 25.600 -27.408 1.00 43.52 H new ATOM 0 HE2 LYS A 121 23.150 25.869 -24.721 1.00 20.23 H new ATOM 0 HE3 LYS A 121 24.754 26.544 -24.926 1.00 20.23 H new ATOM 0 HZ1 LYS A 121 23.059 28.248 -25.085 1.00 31.14 H new ATOM 0 HZ2 LYS A 121 23.863 28.090 -26.572 1.00 31.14 H new ATOM 0 HZ3 LYS A 121 22.309 27.435 -26.374 1.00 31.14 H new ATOM 862 N VAL A 122 23.544 20.970 -26.485 1.00 23.10 N ATOM 863 CA VAL A 122 22.293 20.324 -26.867 1.00 13.41 C ATOM 864 C VAL A 122 22.218 18.904 -26.317 1.00 52.23 C ATOM 865 O VAL A 122 21.151 18.289 -26.298 1.00 71.34 O ATOM 866 CB VAL A 122 22.131 20.279 -28.398 1.00 62.53 C ATOM 867 CG1 VAL A 122 22.064 21.686 -28.970 1.00 0.12 C ATOM 868 CG2 VAL A 122 23.268 19.490 -29.031 1.00 1.45 C ATOM 0 H VAL A 122 24.211 21.083 -27.248 1.00 23.10 H new ATOM 0 HA VAL A 122 21.485 20.919 -26.440 1.00 13.41 H new ATOM 0 HB VAL A 122 21.194 19.773 -28.632 1.00 62.53 H new ATOM 0 HG11 VAL A 122 21.950 21.634 -30.053 1.00 0.12 H new ATOM 0 HG12 VAL A 122 21.212 22.213 -28.540 1.00 0.12 H new ATOM 0 HG13 VAL A 122 22.982 22.221 -28.728 1.00 0.12 H new ATOM 0 HG21 VAL A 122 23.138 19.468 -30.113 1.00 1.45 H new ATOM 0 HG22 VAL A 122 24.219 19.965 -28.790 1.00 1.45 H new ATOM 0 HG23 VAL A 122 23.263 18.471 -28.645 1.00 1.45 H new ATOM 878 N LEU A 123 23.357 18.388 -25.868 1.00 4.14 N ATOM 879 CA LEU A 123 23.421 17.039 -25.315 1.00 53.40 C ATOM 880 C LEU A 123 22.943 17.021 -23.867 1.00 25.13 C ATOM 881 O LEU A 123 22.235 16.104 -23.448 1.00 61.25 O ATOM 882 CB LEU A 123 24.850 16.499 -25.400 1.00 74.02 C ATOM 883 CG LEU A 123 25.173 15.644 -26.625 1.00 44.32 C ATOM 884 CD1 LEU A 123 24.629 14.235 -26.452 1.00 42.44 C ATOM 885 CD2 LEU A 123 24.608 16.284 -27.886 1.00 1.21 C ATOM 0 H LEU A 123 24.249 18.883 -25.876 1.00 4.14 H new ATOM 0 HA LEU A 123 22.762 16.400 -25.903 1.00 53.40 H new ATOM 0 HB2 LEU A 123 25.538 17.344 -25.380 1.00 74.02 H new ATOM 0 HB3 LEU A 123 25.047 15.907 -24.506 1.00 74.02 H new ATOM 0 HG LEU A 123 26.257 15.583 -26.726 1.00 44.32 H new ATOM 0 HD11 LEU A 123 24.869 13.642 -27.334 1.00 42.44 H new ATOM 0 HD12 LEU A 123 25.080 13.776 -25.572 1.00 42.44 H new ATOM 0 HD13 LEU A 123 23.547 14.276 -26.325 1.00 42.44 H new ATOM 0 HD21 LEU A 123 24.847 15.662 -28.748 1.00 1.21 H new ATOM 0 HD22 LEU A 123 23.526 16.376 -27.794 1.00 1.21 H new ATOM 0 HD23 LEU A 123 25.046 17.273 -28.020 1.00 1.21 H new ATOM 897 N LEU A 124 23.332 18.040 -23.109 1.00 54.13 N ATOM 898 CA LEU A 124 22.941 18.142 -21.707 1.00 75.34 C ATOM 899 C LEU A 124 21.670 18.972 -21.555 1.00 14.20 C ATOM 900 O LEU A 124 20.885 18.760 -20.631 1.00 71.21 O ATOM 901 CB LEU A 124 24.071 18.765 -20.886 1.00 22.35 C ATOM 902 CG LEU A 124 25.332 17.916 -20.728 1.00 2.11 C ATOM 903 CD1 LEU A 124 26.481 18.761 -20.199 1.00 33.13 C ATOM 904 CD2 LEU A 124 25.068 16.735 -19.806 1.00 45.33 C ATOM 0 H LEU A 124 23.917 18.807 -23.441 1.00 54.13 H new ATOM 0 HA LEU A 124 22.743 17.136 -21.337 1.00 75.34 H new ATOM 0 HB2 LEU A 124 24.350 19.712 -21.349 1.00 22.35 H new ATOM 0 HB3 LEU A 124 23.686 18.997 -19.893 1.00 22.35 H new ATOM 0 HG LEU A 124 25.612 17.530 -21.708 1.00 2.11 H new ATOM 0 HD11 LEU A 124 27.370 18.140 -20.093 1.00 33.13 H new ATOM 0 HD12 LEU A 124 26.687 19.573 -20.896 1.00 33.13 H new ATOM 0 HD13 LEU A 124 26.210 19.176 -19.228 1.00 33.13 H new ATOM 0 HD21 LEU A 124 25.977 16.142 -19.705 1.00 45.33 H new ATOM 0 HD22 LEU A 124 24.762 17.100 -18.825 1.00 45.33 H new ATOM 0 HD23 LEU A 124 24.275 16.116 -20.226 1.00 45.33 H new ATOM 916 N GLU A 125 21.472 19.916 -22.471 1.00 14.41 N ATOM 917 CA GLU A 125 20.295 20.775 -22.439 1.00 41.11 C ATOM 918 C GLU A 125 19.036 19.965 -22.146 1.00 63.43 C ATOM 919 O GLU A 125 18.341 20.185 -21.155 1.00 14.15 O ATOM 920 CB GLU A 125 20.140 21.516 -23.769 1.00 64.13 C ATOM 921 CG GLU A 125 18.699 21.838 -24.123 1.00 62.33 C ATOM 922 CD GLU A 125 17.981 22.589 -23.018 1.00 4.53 C ATOM 923 OE1 GLU A 125 18.557 23.564 -22.492 1.00 43.43 O ATOM 924 OE2 GLU A 125 16.843 22.202 -22.680 1.00 3.44 O1- ATOM 0 H GLU A 125 22.111 20.104 -23.243 1.00 14.41 H new ATOM 0 HA GLU A 125 20.431 21.503 -21.639 1.00 41.11 H new ATOM 0 HB2 GLU A 125 20.711 22.444 -23.727 1.00 64.13 H new ATOM 0 HB3 GLU A 125 20.574 20.911 -24.565 1.00 64.13 H new ATOM 0 HG2 GLU A 125 18.677 22.434 -25.036 1.00 62.33 H new ATOM 0 HG3 GLU A 125 18.165 20.912 -24.334 1.00 62.33 H new ATOM 931 N PRO A 126 18.734 19.002 -23.031 1.00 30.12 N ATOM 932 CA PRO A 126 17.559 18.138 -22.890 1.00 22.40 C ATOM 933 C PRO A 126 17.692 17.162 -21.726 1.00 25.33 C ATOM 934 O PRO A 126 18.798 16.864 -21.277 1.00 41.31 O ATOM 935 CB PRO A 126 17.514 17.381 -24.220 1.00 61.24 C ATOM 936 CG PRO A 126 18.922 17.386 -24.706 1.00 12.33 C ATOM 937 CD PRO A 126 19.519 18.683 -24.236 1.00 0.12 C ATOM 0 HA PRO A 126 16.656 18.710 -22.678 1.00 22.40 H new ATOM 0 HB2 PRO A 126 17.145 16.364 -24.085 1.00 61.24 H new ATOM 0 HB3 PRO A 126 16.848 17.869 -24.931 1.00 61.24 H new ATOM 0 HG2 PRO A 126 19.475 16.535 -24.308 1.00 12.33 H new ATOM 0 HG3 PRO A 126 18.960 17.310 -25.793 1.00 12.33 H new ATOM 0 HD2 PRO A 126 20.580 18.578 -24.009 1.00 0.12 H new ATOM 0 HD3 PRO A 126 19.431 19.463 -24.992 1.00 0.12 H new ATOM 945 N GLY A 127 16.557 16.667 -21.242 1.00 43.42 N ATOM 946 CA GLY A 127 16.570 15.729 -20.134 1.00 51.41 C ATOM 947 C GLY A 127 16.658 14.288 -20.595 1.00 23.25 C ATOM 948 O GLY A 127 16.980 13.397 -19.810 1.00 21.10 O ATOM 0 H GLY A 127 15.629 16.898 -21.597 1.00 43.42 H new ATOM 0 HA2 GLY A 127 17.416 15.951 -19.484 1.00 51.41 H new ATOM 0 HA3 GLY A 127 15.667 15.862 -19.539 1.00 51.41 H new ATOM 952 N SER A 128 16.370 14.059 -21.872 1.00 64.24 N ATOM 953 CA SER A 128 16.413 12.714 -22.436 1.00 14.15 C ATOM 954 C SER A 128 17.842 12.325 -22.804 1.00 43.42 C ATOM 955 O SER A 128 18.111 11.893 -23.926 1.00 75.43 O ATOM 956 CB SER A 128 15.514 12.627 -23.671 1.00 12.14 C ATOM 957 OG SER A 128 14.315 13.358 -23.480 1.00 41.51 O ATOM 0 H SER A 128 16.104 14.787 -22.536 1.00 64.24 H new ATOM 0 HA SER A 128 16.048 12.018 -21.681 1.00 14.15 H new ATOM 0 HB2 SER A 128 16.046 13.015 -24.540 1.00 12.14 H new ATOM 0 HB3 SER A 128 15.278 11.584 -23.881 1.00 12.14 H new ATOM 0 HG SER A 128 13.758 13.289 -24.283 1.00 41.51 H new ATOM 963 N LYS A 129 18.755 12.481 -21.852 1.00 13.44 N ATOM 964 CA LYS A 129 20.157 12.146 -22.073 1.00 70.44 C ATOM 965 C LYS A 129 20.296 10.732 -22.629 1.00 11.20 C ATOM 966 O LYS A 129 21.304 10.396 -23.249 1.00 23.24 O ATOM 967 CB LYS A 129 20.945 12.273 -20.768 1.00 55.21 C ATOM 968 CG LYS A 129 21.396 13.691 -20.464 1.00 13.43 C ATOM 969 CD LYS A 129 20.341 14.457 -19.685 1.00 2.32 C ATOM 970 CE LYS A 129 20.186 13.914 -18.273 1.00 34.02 C ATOM 971 NZ LYS A 129 20.684 14.876 -17.251 1.00 60.14 N1+ ATOM 0 H LYS A 129 18.549 12.838 -20.919 1.00 13.44 H new ATOM 0 HA LYS A 129 20.562 12.846 -22.803 1.00 70.44 H new ATOM 0 HB2 LYS A 129 20.328 11.913 -19.945 1.00 55.21 H new ATOM 0 HB3 LYS A 129 21.820 11.625 -20.818 1.00 55.21 H new ATOM 0 HG2 LYS A 129 22.324 13.664 -19.892 1.00 13.43 H new ATOM 0 HG3 LYS A 129 21.611 14.213 -21.396 1.00 13.43 H new ATOM 0 HD2 LYS A 129 20.613 15.512 -19.642 1.00 2.32 H new ATOM 0 HD3 LYS A 129 19.386 14.395 -20.207 1.00 2.32 H new ATOM 0 HE2 LYS A 129 19.136 13.693 -18.082 1.00 34.02 H new ATOM 0 HE3 LYS A 129 20.731 12.974 -18.183 1.00 34.02 H new ATOM 0 HZ1 LYS A 129 20.561 14.469 -16.302 1.00 60.14 H new ATOM 0 HZ2 LYS A 129 21.693 15.068 -17.417 1.00 60.14 H new ATOM 0 HZ3 LYS A 129 20.147 15.764 -17.319 1.00 60.14 H new ATOM 985 N ASN A 130 19.278 9.908 -22.402 1.00 50.25 N ATOM 986 CA ASN A 130 19.288 8.531 -22.881 1.00 20.54 C ATOM 987 C ASN A 130 18.763 8.449 -24.311 1.00 24.34 C ATOM 988 O ASN A 130 18.268 7.407 -24.744 1.00 52.01 O ATOM 989 CB ASN A 130 18.444 7.644 -21.964 1.00 13.43 C ATOM 990 CG ASN A 130 19.105 7.408 -20.619 1.00 62.11 C ATOM 991 OD1 ASN A 130 20.126 6.726 -20.528 1.00 43.45 O ATOM 992 ND2 ASN A 130 18.523 7.973 -19.567 1.00 30.42 N ATOM 0 H ASN A 130 18.436 10.170 -21.889 1.00 50.25 H new ATOM 0 HA ASN A 130 20.319 8.176 -22.870 1.00 20.54 H new ATOM 0 HB2 ASN A 130 17.470 8.108 -21.810 1.00 13.43 H new ATOM 0 HB3 ASN A 130 18.267 6.686 -22.452 1.00 13.43 H new ATOM 0 HD21 ASN A 130 18.922 7.850 -18.636 1.00 30.42 H new ATOM 0 HD22 ASN A 130 17.678 8.530 -19.690 1.00 30.42 H new ATOM 999 N LEU A 131 18.873 9.553 -25.040 1.00 22.31 N ATOM 1000 CA LEU A 131 18.410 9.606 -26.423 1.00 15.12 C ATOM 1001 C LEU A 131 19.455 9.025 -27.370 1.00 65.34 C ATOM 1002 O LEU A 131 20.616 8.852 -26.999 1.00 42.41 O ATOM 1003 CB LEU A 131 18.093 11.050 -26.820 1.00 11.43 C ATOM 1004 CG LEU A 131 19.249 12.046 -26.710 1.00 44.53 C ATOM 1005 CD1 LEU A 131 19.995 12.146 -28.031 1.00 2.43 C ATOM 1006 CD2 LEU A 131 18.736 13.412 -26.279 1.00 50.13 C ATOM 0 H LEU A 131 19.279 10.424 -24.697 1.00 22.31 H new ATOM 0 HA LEU A 131 17.503 9.006 -26.500 1.00 15.12 H new ATOM 0 HB2 LEU A 131 17.735 11.052 -27.849 1.00 11.43 H new ATOM 0 HB3 LEU A 131 17.273 11.405 -26.196 1.00 11.43 H new ATOM 0 HG LEU A 131 19.944 11.685 -25.951 1.00 44.53 H new ATOM 0 HD11 LEU A 131 20.814 12.859 -27.933 1.00 2.43 H new ATOM 0 HD12 LEU A 131 20.395 11.168 -28.298 1.00 2.43 H new ATOM 0 HD13 LEU A 131 19.311 12.483 -28.810 1.00 2.43 H new ATOM 0 HD21 LEU A 131 19.572 14.108 -26.206 1.00 50.13 H new ATOM 0 HD22 LEU A 131 18.020 13.780 -27.014 1.00 50.13 H new ATOM 0 HD23 LEU A 131 18.248 13.328 -25.308 1.00 50.13 H new ATOM 1018 N SER A 132 19.035 8.726 -28.595 1.00 12.44 N ATOM 1019 CA SER A 132 19.933 8.161 -29.596 1.00 34.35 C ATOM 1020 C SER A 132 20.867 9.232 -30.152 1.00 0.35 C ATOM 1021 O SER A 132 20.489 10.397 -30.275 1.00 24.34 O ATOM 1022 CB SER A 132 19.130 7.527 -30.733 1.00 71.11 C ATOM 1023 OG SER A 132 19.792 6.386 -31.250 1.00 74.41 O ATOM 0 H SER A 132 18.078 8.866 -28.919 1.00 12.44 H new ATOM 0 HA SER A 132 20.536 7.391 -29.115 1.00 34.35 H new ATOM 0 HB2 SER A 132 18.141 7.245 -30.371 1.00 71.11 H new ATOM 0 HB3 SER A 132 18.982 8.257 -31.529 1.00 71.11 H new ATOM 0 HG SER A 132 19.258 5.998 -31.974 1.00 74.41 H new ATOM 1029 N ILE A 133 22.087 8.828 -30.487 1.00 2.43 N ATOM 1030 CA ILE A 133 23.075 9.750 -31.031 1.00 72.04 C ATOM 1031 C ILE A 133 22.545 10.452 -32.276 1.00 24.01 C ATOM 1032 O ILE A 133 22.855 11.618 -32.525 1.00 53.43 O ATOM 1033 CB ILE A 133 24.389 9.026 -31.384 1.00 63.11 C ATOM 1034 CG1 ILE A 133 25.436 10.031 -31.868 1.00 14.41 C ATOM 1035 CG2 ILE A 133 24.138 7.961 -32.442 1.00 55.22 C ATOM 1036 CD1 ILE A 133 26.666 10.091 -30.992 1.00 63.31 C ATOM 0 H ILE A 133 22.415 7.867 -30.391 1.00 2.43 H new ATOM 0 HA ILE A 133 23.275 10.490 -30.256 1.00 72.04 H new ATOM 0 HB ILE A 133 24.771 8.537 -30.488 1.00 63.11 H new ATOM 0 HG12 ILE A 133 25.735 9.771 -32.883 1.00 14.41 H new ATOM 0 HG13 ILE A 133 24.983 11.022 -31.913 1.00 14.41 H new ATOM 0 HG21 ILE A 133 25.075 7.458 -32.681 1.00 55.22 H new ATOM 0 HG22 ILE A 133 23.422 7.232 -32.062 1.00 55.22 H new ATOM 0 HG23 ILE A 133 23.737 8.429 -33.341 1.00 55.22 H new ATOM 0 HD11 ILE A 133 27.365 10.824 -31.395 1.00 63.31 H new ATOM 0 HD12 ILE A 133 26.379 10.381 -29.981 1.00 63.31 H new ATOM 0 HD13 ILE A 133 27.143 9.111 -30.967 1.00 63.31 H new ATOM 1048 N TYR A 134 21.741 9.736 -33.054 1.00 51.34 N ATOM 1049 CA TYR A 134 21.166 10.290 -34.275 1.00 14.53 C ATOM 1050 C TYR A 134 20.476 11.621 -33.997 1.00 72.13 C ATOM 1051 O TYR A 134 20.502 12.532 -34.825 1.00 64.14 O ATOM 1052 CB TYR A 134 20.171 9.304 -34.888 1.00 10.23 C ATOM 1053 CG TYR A 134 19.656 9.728 -36.245 1.00 4.11 C ATOM 1054 CD1 TYR A 134 20.510 10.281 -37.191 1.00 75.12 C ATOM 1055 CD2 TYR A 134 18.317 9.575 -36.581 1.00 14.43 C ATOM 1056 CE1 TYR A 134 20.046 10.670 -38.433 1.00 43.31 C ATOM 1057 CE2 TYR A 134 17.843 9.960 -37.821 1.00 22.22 C ATOM 1058 CZ TYR A 134 18.711 10.507 -38.743 1.00 2.11 C ATOM 1059 OH TYR A 134 18.243 10.893 -39.978 1.00 3.43 O ATOM 0 H TYR A 134 21.472 8.771 -32.861 1.00 51.34 H new ATOM 0 HA TYR A 134 21.977 10.463 -34.982 1.00 14.53 H new ATOM 0 HB2 TYR A 134 20.648 8.328 -34.979 1.00 10.23 H new ATOM 0 HB3 TYR A 134 19.326 9.184 -34.209 1.00 10.23 H new ATOM 0 HD1 TYR A 134 21.555 10.409 -36.951 1.00 75.12 H new ATOM 0 HD2 TYR A 134 17.635 9.148 -35.861 1.00 14.43 H new ATOM 0 HE1 TYR A 134 20.724 11.099 -39.156 1.00 43.31 H new ATOM 0 HE2 TYR A 134 16.799 9.833 -38.067 1.00 22.22 H new ATOM 0 HH TYR A 134 17.282 10.709 -40.036 1.00 3.43 H new ATOM 1069 N GLN A 135 19.859 11.727 -32.824 1.00 15.24 N ATOM 1070 CA GLN A 135 19.162 12.947 -32.435 1.00 3.44 C ATOM 1071 C GLN A 135 20.151 14.030 -32.015 1.00 63.55 C ATOM 1072 O GLN A 135 19.926 15.217 -32.252 1.00 15.31 O ATOM 1073 CB GLN A 135 18.186 12.659 -31.293 1.00 23.05 C ATOM 1074 CG GLN A 135 17.517 11.298 -31.393 1.00 5.20 C ATOM 1075 CD GLN A 135 17.013 10.996 -32.791 1.00 34.34 C ATOM 1076 OE1 GLN A 135 17.160 9.747 -33.216 1.00 23.14 O flip ATOM 1077 NE2 GLN A 135 16.498 11.877 -33.480 1.00 23.23 N flip ATOM 0 H GLN A 135 19.828 10.983 -32.127 1.00 15.24 H new ATOM 0 HA GLN A 135 18.603 13.308 -33.299 1.00 3.44 H new ATOM 0 HB2 GLN A 135 18.720 12.723 -30.345 1.00 23.05 H new ATOM 0 HB3 GLN A 135 17.418 13.432 -31.279 1.00 23.05 H new ATOM 0 HG2 GLN A 135 18.225 10.526 -31.092 1.00 5.20 H new ATOM 0 HG3 GLN A 135 16.683 11.255 -30.693 1.00 5.20 H new ATOM 0 HE21 GLN A 135 16.406 12.824 -33.112 1.00 23.23 H new ATOM 0 HE22 GLN A 135 16.164 11.660 -34.419 1.00 23.23 H new ATOM 1086 N THR A 136 21.246 13.613 -31.389 1.00 4.35 N ATOM 1087 CA THR A 136 22.269 14.545 -30.934 1.00 41.33 C ATOM 1088 C THR A 136 22.845 15.342 -32.100 1.00 13.53 C ATOM 1089 O THR A 136 22.926 16.569 -32.047 1.00 52.25 O ATOM 1090 CB THR A 136 23.415 13.815 -30.211 1.00 42.43 C ATOM 1091 OG1 THR A 136 24.236 13.127 -31.162 1.00 21.30 O ATOM 1092 CG2 THR A 136 22.869 12.823 -29.194 1.00 12.34 C ATOM 0 H THR A 136 21.447 12.634 -31.185 1.00 4.35 H new ATOM 0 HA THR A 136 21.785 15.227 -30.235 1.00 41.33 H new ATOM 0 HB THR A 136 24.014 14.558 -29.685 1.00 42.43 H new ATOM 0 HG1 THR A 136 23.675 12.551 -31.722 1.00 21.30 H new ATOM 0 HG21 THR A 136 23.697 12.319 -28.696 1.00 12.34 H new ATOM 0 HG22 THR A 136 22.269 13.353 -28.454 1.00 12.34 H new ATOM 0 HG23 THR A 136 22.249 12.085 -29.702 1.00 12.34 H new ATOM 1100 N LEU A 137 23.244 14.636 -33.152 1.00 40.20 N ATOM 1101 CA LEU A 137 23.813 15.276 -34.333 1.00 24.30 C ATOM 1102 C LEU A 137 22.728 15.970 -35.150 1.00 25.13 C ATOM 1103 O LEU A 137 22.900 17.108 -35.591 1.00 73.04 O ATOM 1104 CB LEU A 137 24.539 14.244 -35.198 1.00 71.51 C ATOM 1105 CG LEU A 137 25.558 13.362 -34.477 1.00 14.44 C ATOM 1106 CD1 LEU A 137 26.100 12.296 -35.417 1.00 42.21 C ATOM 1107 CD2 LEU A 137 26.692 14.207 -33.913 1.00 41.53 C ATOM 0 H LEU A 137 23.184 13.620 -33.211 1.00 40.20 H new ATOM 0 HA LEU A 137 24.529 16.028 -34.000 1.00 24.30 H new ATOM 0 HB2 LEU A 137 23.793 13.598 -35.661 1.00 71.51 H new ATOM 0 HB3 LEU A 137 25.050 14.770 -36.004 1.00 71.51 H new ATOM 0 HG LEU A 137 25.057 12.864 -33.647 1.00 14.44 H new ATOM 0 HD11 LEU A 137 26.824 11.677 -34.887 1.00 42.21 H new ATOM 0 HD12 LEU A 137 25.280 11.672 -35.771 1.00 42.21 H new ATOM 0 HD13 LEU A 137 26.585 12.774 -36.268 1.00 42.21 H new ATOM 0 HD21 LEU A 137 27.408 13.562 -33.403 1.00 41.53 H new ATOM 0 HD22 LEU A 137 27.193 14.733 -34.726 1.00 41.53 H new ATOM 0 HD23 LEU A 137 26.289 14.932 -33.206 1.00 41.53 H new ATOM 1119 N LEU A 138 21.611 15.280 -35.349 1.00 10.14 N ATOM 1120 CA LEU A 138 20.496 15.830 -36.113 1.00 31.24 C ATOM 1121 C LEU A 138 20.002 17.133 -35.491 1.00 11.02 C ATOM 1122 O LEU A 138 19.768 18.116 -36.193 1.00 71.33 O ATOM 1123 CB LEU A 138 19.351 14.818 -36.182 1.00 41.12 C ATOM 1124 CG LEU A 138 18.156 15.216 -37.049 1.00 45.03 C ATOM 1125 CD1 LEU A 138 17.465 13.981 -37.605 1.00 14.12 C ATOM 1126 CD2 LEU A 138 17.176 16.062 -36.250 1.00 22.45 C ATOM 0 H LEU A 138 21.453 14.338 -34.992 1.00 10.14 H new ATOM 0 HA LEU A 138 20.847 16.040 -37.123 1.00 31.24 H new ATOM 0 HB2 LEU A 138 19.748 13.875 -36.557 1.00 41.12 H new ATOM 0 HB3 LEU A 138 18.994 14.633 -35.169 1.00 41.12 H new ATOM 0 HG LEU A 138 18.521 15.811 -37.886 1.00 45.03 H new ATOM 0 HD11 LEU A 138 16.617 14.284 -38.219 1.00 14.12 H new ATOM 0 HD12 LEU A 138 18.169 13.413 -38.213 1.00 14.12 H new ATOM 0 HD13 LEU A 138 17.113 13.359 -36.782 1.00 14.12 H new ATOM 0 HD21 LEU A 138 16.332 16.336 -36.883 1.00 22.45 H new ATOM 0 HD22 LEU A 138 16.817 15.492 -35.393 1.00 22.45 H new ATOM 0 HD23 LEU A 138 17.676 16.965 -35.901 1.00 22.45 H new ATOM 1138 N ALA A 139 19.849 17.132 -34.171 1.00 11.23 N ATOM 1139 CA ALA A 139 19.386 18.314 -33.455 1.00 25.20 C ATOM 1140 C ALA A 139 20.443 19.414 -33.471 1.00 1.41 C ATOM 1141 O ALA A 139 20.161 20.554 -33.840 1.00 21.21 O ATOM 1142 CB ALA A 139 19.018 17.955 -32.024 1.00 44.04 C ATOM 0 H ALA A 139 20.039 16.326 -33.576 1.00 11.23 H new ATOM 0 HA ALA A 139 18.498 18.691 -33.963 1.00 25.20 H new ATOM 0 HB1 ALA A 139 18.674 18.848 -31.502 1.00 44.04 H new ATOM 0 HB2 ALA A 139 18.223 17.209 -32.029 1.00 44.04 H new ATOM 0 HB3 ALA A 139 19.892 17.551 -31.514 1.00 44.04 H new ATOM 1148 N ALA A 140 21.661 19.064 -33.069 1.00 70.34 N ATOM 1149 CA ALA A 140 22.759 20.021 -33.038 1.00 73.32 C ATOM 1150 C ALA A 140 22.967 20.662 -34.406 1.00 31.53 C ATOM 1151 O ALA A 140 23.317 21.839 -34.506 1.00 61.43 O ATOM 1152 CB ALA A 140 24.037 19.342 -32.570 1.00 20.30 C ATOM 0 H ALA A 140 21.911 18.125 -32.760 1.00 70.34 H new ATOM 0 HA ALA A 140 22.501 20.811 -32.332 1.00 73.32 H new ATOM 0 HB1 ALA A 140 24.849 20.069 -32.552 1.00 20.30 H new ATOM 0 HB2 ALA A 140 23.889 18.938 -31.569 1.00 20.30 H new ATOM 0 HB3 ALA A 140 24.290 18.532 -33.254 1.00 20.30 H new ATOM 1158 N HIS A 141 22.752 19.880 -35.459 1.00 1.44 N ATOM 1159 CA HIS A 141 22.916 20.371 -36.823 1.00 35.23 C ATOM 1160 C HIS A 141 21.797 21.341 -37.190 1.00 23.11 C ATOM 1161 O HIS A 141 22.048 22.508 -37.487 1.00 71.12 O ATOM 1162 CB HIS A 141 22.938 19.203 -37.810 1.00 54.14 C ATOM 1163 CG HIS A 141 23.474 19.569 -39.160 1.00 62.40 C ATOM 1164 ND1 HIS A 141 22.836 19.824 -40.325 1.00 11.41 N flip ATOM 1165 CD2 HIS A 141 24.821 19.707 -39.422 1.00 55.51 C flip ATOM 1166 CE1 HIS A 141 23.799 20.110 -41.262 1.00 43.34 C flip ATOM 1167 NE2 HIS A 141 24.988 20.033 -40.691 1.00 1.53 N flip ATOM 0 H HIS A 141 22.464 18.904 -35.394 1.00 1.44 H new ATOM 0 HA HIS A 141 23.866 20.902 -36.879 1.00 35.23 H new ATOM 0 HB2 HIS A 141 23.544 18.398 -37.394 1.00 54.14 H new ATOM 0 HB3 HIS A 141 21.926 18.815 -37.923 1.00 54.14 H new ATOM 0 HD2 HIS A 141 25.615 19.570 -38.702 1.00 55.51 H new ATOM 0 HE1 HIS A 141 23.614 20.357 -42.297 1.00 43.34 H new ATOM 0 HE2 HIS A 141 25.883 20.197 -41.152 1.00 1.53 H new ATOM 1176 N GLU A 142 20.562 20.849 -37.168 1.00 21.22 N ATOM 1177 CA GLU A 142 19.405 21.672 -37.500 1.00 60.01 C ATOM 1178 C GLU A 142 19.361 22.924 -36.629 1.00 12.12 C ATOM 1179 O GLU A 142 18.983 24.001 -37.090 1.00 65.25 O ATOM 1180 CB GLU A 142 18.114 20.870 -37.326 1.00 0.33 C ATOM 1181 CG GLU A 142 18.054 19.619 -38.185 1.00 13.53 C ATOM 1182 CD GLU A 142 17.370 19.858 -39.517 1.00 12.43 C ATOM 1183 OE1 GLU A 142 16.795 18.896 -40.069 1.00 13.54 O ATOM 1184 OE2 GLU A 142 17.409 21.005 -40.008 1.00 0.23 O1- ATOM 0 H GLU A 142 20.337 19.885 -36.924 1.00 21.22 H new ATOM 0 HA GLU A 142 19.496 21.978 -38.542 1.00 60.01 H new ATOM 0 HB2 GLU A 142 18.011 20.587 -36.279 1.00 0.33 H new ATOM 0 HB3 GLU A 142 17.264 21.508 -37.569 1.00 0.33 H new ATOM 0 HG2 GLU A 142 19.066 19.255 -38.361 1.00 13.53 H new ATOM 0 HG3 GLU A 142 17.523 18.836 -37.643 1.00 13.53 H new ATOM 1191 N ARG A 143 19.750 22.774 -35.367 1.00 11.21 N ATOM 1192 CA ARG A 143 19.754 23.892 -34.430 1.00 60.32 C ATOM 1193 C ARG A 143 20.785 24.940 -34.838 1.00 61.53 C ATOM 1194 O ARG A 143 20.583 26.138 -34.633 1.00 4.22 O ATOM 1195 CB ARG A 143 20.047 23.396 -33.013 1.00 31.13 C ATOM 1196 CG ARG A 143 18.829 22.835 -32.299 1.00 61.33 C ATOM 1197 CD ARG A 143 18.831 23.200 -30.823 1.00 34.34 C ATOM 1198 NE ARG A 143 18.527 24.612 -30.608 1.00 43.43 N ATOM 1199 CZ ARG A 143 18.272 25.134 -29.413 1.00 42.24 C ATOM 1200 NH1 ARG A 143 18.285 24.366 -28.333 1.00 31.10 N1+ ATOM 1201 NH2 ARG A 143 18.004 26.429 -29.298 1.00 72.21 N ATOM 0 H ARG A 143 20.066 21.890 -34.970 1.00 11.21 H new ATOM 0 HA ARG A 143 18.767 24.353 -34.449 1.00 60.32 H new ATOM 0 HB2 ARG A 143 20.817 22.626 -33.059 1.00 31.13 H new ATOM 0 HB3 ARG A 143 20.454 24.219 -32.426 1.00 31.13 H new ATOM 0 HG2 ARG A 143 17.923 23.218 -32.768 1.00 61.33 H new ATOM 0 HG3 ARG A 143 18.810 21.750 -32.407 1.00 61.33 H new ATOM 0 HD2 ARG A 143 18.099 22.587 -30.297 1.00 34.34 H new ATOM 0 HD3 ARG A 143 19.806 22.970 -30.394 1.00 34.34 H new ATOM 0 HE ARG A 143 18.509 25.231 -31.419 1.00 43.43 H new ATOM 0 HH11 ARG A 143 18.491 23.371 -28.417 1.00 31.10 H new ATOM 0 HH12 ARG A 143 18.089 24.770 -27.417 1.00 31.10 H new ATOM 0 HH21 ARG A 143 17.994 27.023 -30.127 1.00 72.21 H new ATOM 0 HH22 ARG A 143 17.808 26.830 -28.381 1.00 72.21 H new ATOM 1215 N LEU A 144 21.889 24.482 -35.417 1.00 51.52 N ATOM 1216 CA LEU A 144 22.954 25.380 -35.853 1.00 34.24 C ATOM 1217 C LEU A 144 22.460 26.313 -36.954 1.00 61.12 C ATOM 1218 O LEU A 144 22.864 27.474 -37.023 1.00 51.43 O ATOM 1219 CB LEU A 144 24.154 24.574 -36.351 1.00 61.43 C ATOM 1220 CG LEU A 144 25.371 25.388 -36.796 1.00 62.04 C ATOM 1221 CD1 LEU A 144 26.213 25.787 -35.595 1.00 42.11 C ATOM 1222 CD2 LEU A 144 26.202 24.600 -37.797 1.00 54.33 C ATOM 0 H LEU A 144 22.071 23.494 -35.596 1.00 51.52 H new ATOM 0 HA LEU A 144 23.260 25.985 -34.999 1.00 34.24 H new ATOM 0 HB2 LEU A 144 24.466 23.896 -35.557 1.00 61.43 H new ATOM 0 HB3 LEU A 144 23.829 23.956 -37.188 1.00 61.43 H new ATOM 0 HG LEU A 144 25.019 26.297 -37.284 1.00 62.04 H new ATOM 0 HD11 LEU A 144 27.074 26.365 -35.930 1.00 42.11 H new ATOM 0 HD12 LEU A 144 25.613 26.391 -34.915 1.00 42.11 H new ATOM 0 HD13 LEU A 144 26.557 24.891 -35.078 1.00 42.11 H new ATOM 0 HD21 LEU A 144 27.063 25.194 -38.103 1.00 54.33 H new ATOM 0 HD22 LEU A 144 26.545 23.674 -37.336 1.00 54.33 H new ATOM 0 HD23 LEU A 144 25.594 24.366 -38.671 1.00 54.33 H new ATOM 1234 N GLN A 145 21.584 25.798 -37.811 1.00 51.00 N ATOM 1235 CA GLN A 145 21.035 26.587 -38.908 1.00 12.25 C ATOM 1236 C GLN A 145 19.600 27.010 -38.609 1.00 12.51 C ATOM 1237 O GLN A 145 18.770 27.105 -39.512 1.00 14.40 O ATOM 1238 CB GLN A 145 21.083 25.789 -40.212 1.00 54.30 C ATOM 1239 CG GLN A 145 22.446 25.185 -40.505 1.00 44.02 C ATOM 1240 CD GLN A 145 22.569 23.756 -40.013 1.00 45.43 C ATOM 1241 OE1 GLN A 145 23.774 23.373 -39.603 1.00 3.44 O flip ATOM 1242 NE2 GLN A 145 21.594 23.005 -40.002 1.00 40.43 N flip ATOM 0 H GLN A 145 21.239 24.839 -37.767 1.00 51.00 H new ATOM 0 HA GLN A 145 21.644 27.484 -39.017 1.00 12.25 H new ATOM 0 HB2 GLN A 145 20.343 24.990 -40.167 1.00 54.30 H new ATOM 0 HB3 GLN A 145 20.798 26.441 -41.038 1.00 54.30 H new ATOM 0 HG2 GLN A 145 22.628 25.212 -41.579 1.00 44.02 H new ATOM 0 HG3 GLN A 145 23.218 25.795 -40.035 1.00 44.02 H new ATOM 0 HE21 GLN A 145 20.687 23.342 -40.326 1.00 40.43 H new ATOM 0 HE22 GLN A 145 21.693 22.046 -39.669 1.00 40.43 H new ATOM 1251 N ALA A 146 19.316 27.263 -37.335 1.00 25.41 N ATOM 1252 CA ALA A 146 17.982 27.676 -36.918 1.00 61.13 C ATOM 1253 C ALA A 146 17.925 29.180 -36.675 1.00 43.10 C ATOM 1254 O ALA A 146 17.007 29.860 -37.138 1.00 53.12 O ATOM 1255 CB ALA A 146 17.563 26.922 -35.665 1.00 73.03 C ATOM 0 H ALA A 146 19.992 27.189 -36.575 1.00 25.41 H new ATOM 0 HA ALA A 146 17.287 27.437 -37.722 1.00 61.13 H new ATOM 0 HB1 ALA A 146 16.565 27.241 -35.365 1.00 73.03 H new ATOM 0 HB2 ALA A 146 17.556 25.851 -35.870 1.00 73.03 H new ATOM 0 HB3 ALA A 146 18.268 27.133 -34.861 1.00 73.03 H new ATOM 1261 N LEU A 147 18.910 29.696 -35.949 1.00 64.13 N ATOM 1262 CA LEU A 147 18.972 31.121 -35.645 1.00 53.53 C ATOM 1263 C LEU A 147 17.677 31.595 -34.994 1.00 25.45 C ATOM 1264 O LEU A 147 17.251 32.720 -35.251 1.00 52.04 O ATOM 1265 CB LEU A 147 19.239 31.924 -36.919 1.00 12.24 C ATOM 1266 CG LEU A 147 20.180 33.120 -36.774 1.00 10.30 C ATOM 1267 CD1 LEU A 147 21.007 33.305 -38.037 1.00 75.04 C ATOM 1268 CD2 LEU A 147 19.393 34.384 -36.460 1.00 34.23 C ATOM 0 H LEU A 147 19.677 29.148 -35.560 1.00 64.13 H new ATOM 0 HA LEU A 147 19.791 31.282 -34.944 1.00 53.53 H new ATOM 0 HB2 LEU A 147 19.653 31.250 -37.669 1.00 12.24 H new ATOM 0 HB3 LEU A 147 18.285 32.283 -37.305 1.00 12.24 H new ATOM 0 HG LEU A 147 20.860 32.924 -35.945 1.00 10.30 H new ATOM 0 HD11 LEU A 147 21.671 34.161 -37.915 1.00 75.04 H new ATOM 0 HD12 LEU A 147 21.600 32.409 -38.218 1.00 75.04 H new ATOM 0 HD13 LEU A 147 20.343 33.478 -38.884 1.00 75.04 H new ATOM 0 HD21 LEU A 147 20.080 35.225 -36.360 1.00 34.23 H new ATOM 0 HD22 LEU A 147 18.689 34.584 -37.268 1.00 34.23 H new ATOM 0 HD23 LEU A 147 18.846 34.250 -35.527 1.00 34.23 H new TER 1280 LEU A 147 ATOM 1281 N HIS B 518 70.216 53.985 13.785 1.00 21.13 N ATOM 1282 CA HIS B 518 69.644 52.670 14.048 1.00 35.22 C ATOM 1283 C HIS B 518 69.892 51.724 12.877 1.00 35.13 C ATOM 1284 O HIS B 518 70.498 52.106 11.876 1.00 13.03 O ATOM 1285 CB HIS B 518 68.142 52.787 14.314 1.00 50.40 C ATOM 1286 CG HIS B 518 67.809 53.063 15.748 1.00 11.31 C ATOM 1287 ND1 HIS B 518 66.514 53.175 16.211 1.00 51.44 N ATOM 1288 CD2 HIS B 518 68.609 53.246 16.824 1.00 52.22 C ATOM 1289 CE1 HIS B 518 66.533 53.419 17.510 1.00 51.12 C ATOM 1290 NE2 HIS B 518 67.792 53.466 17.906 1.00 12.11 N ATOM 0 HA HIS B 518 70.132 52.260 14.933 1.00 35.22 H new ATOM 0 HB2 HIS B 518 67.732 53.585 13.694 1.00 50.40 H new ATOM 0 HB3 HIS B 518 67.654 51.862 14.007 1.00 50.40 H new ATOM 0 HD2 HIS B 518 69.689 53.223 16.831 1.00 52.22 H new ATOM 0 HE1 HIS B 518 65.667 53.556 18.140 1.00 51.12 H new ATOM 0 HE2 HIS B 518 68.107 53.638 18.861 1.00 12.11 H new ATOM 1299 N MET B 519 69.420 50.489 13.008 1.00 20.22 N ATOM 1300 CA MET B 519 69.590 49.490 11.959 1.00 45.23 C ATOM 1301 C MET B 519 68.303 48.701 11.745 1.00 50.30 C ATOM 1302 O MET B 519 67.543 48.466 12.685 1.00 40.52 O ATOM 1303 CB MET B 519 70.732 48.536 12.316 1.00 3.13 C ATOM 1304 CG MET B 519 72.112 49.146 12.133 1.00 31.34 C ATOM 1305 SD MET B 519 73.431 48.075 12.737 1.00 5.43 S ATOM 1306 CE MET B 519 74.436 47.912 11.264 1.00 34.34 C ATOM 0 H MET B 519 68.917 50.156 13.830 1.00 20.22 H new ATOM 0 HA MET B 519 69.835 50.010 11.033 1.00 45.23 H new ATOM 0 HB2 MET B 519 70.619 48.218 13.352 1.00 3.13 H new ATOM 0 HB3 MET B 519 70.654 47.642 11.698 1.00 3.13 H new ATOM 0 HG2 MET B 519 72.275 49.356 11.076 1.00 31.34 H new ATOM 0 HG3 MET B 519 72.155 50.100 12.658 1.00 31.34 H new ATOM 0 HE1 MET B 519 75.295 47.275 11.478 1.00 34.34 H new ATOM 0 HE2 MET B 519 73.843 47.465 10.466 1.00 34.34 H new ATOM 0 HE3 MET B 519 74.783 48.896 10.950 1.00 34.34 H new ATOM 1316 N ASP B 520 68.061 48.296 10.503 1.00 74.23 N ATOM 1317 CA ASP B 520 66.865 47.534 10.166 1.00 31.44 C ATOM 1318 C ASP B 520 66.708 46.331 11.091 1.00 44.32 C ATOM 1319 O ASP B 520 67.666 45.862 11.707 1.00 1.42 O ATOM 1320 CB ASP B 520 66.925 47.068 8.710 1.00 25.13 C ATOM 1321 CG ASP B 520 68.319 46.634 8.297 1.00 32.35 C ATOM 1322 OD1 ASP B 520 69.079 47.486 7.791 1.00 72.23 O ATOM 1323 OD2 ASP B 520 68.649 45.444 8.482 1.00 3.02 O1- ATOM 0 H ASP B 520 68.678 48.483 9.713 1.00 74.23 H new ATOM 0 HA ASP B 520 66.001 48.185 10.296 1.00 31.44 H new ATOM 0 HB2 ASP B 520 66.233 46.238 8.568 1.00 25.13 H new ATOM 0 HB3 ASP B 520 66.592 47.876 8.059 1.00 25.13 H new ATOM 1328 N PRO B 521 65.473 45.820 11.193 1.00 54.32 N ATOM 1329 CA PRO B 521 65.162 44.666 12.043 1.00 73.43 C ATOM 1330 C PRO B 521 65.758 43.371 11.502 1.00 14.40 C ATOM 1331 O PRO B 521 66.389 42.611 12.239 1.00 3.11 O ATOM 1332 CB PRO B 521 63.632 44.604 12.010 1.00 34.25 C ATOM 1333 CG PRO B 521 63.254 45.260 10.727 1.00 74.43 C ATOM 1334 CD PRO B 521 64.284 46.328 10.488 1.00 2.40 C ATOM 0 HA PRO B 521 65.577 44.774 13.045 1.00 73.43 H new ATOM 0 HB2 PRO B 521 63.277 43.574 12.048 1.00 34.25 H new ATOM 0 HB3 PRO B 521 63.196 45.123 12.864 1.00 34.25 H new ATOM 0 HG2 PRO B 521 63.242 44.539 9.909 1.00 74.43 H new ATOM 0 HG3 PRO B 521 62.254 45.689 10.788 1.00 74.43 H new ATOM 0 HD2 PRO B 521 64.477 46.469 9.425 1.00 2.40 H new ATOM 0 HD3 PRO B 521 63.963 47.291 10.884 1.00 2.40 H new ATOM 1342 N LEU B 522 65.555 43.124 10.213 1.00 1.11 N ATOM 1343 CA LEU B 522 66.075 41.921 9.573 1.00 75.22 C ATOM 1344 C LEU B 522 65.815 41.947 8.070 1.00 30.33 C ATOM 1345 O LEU B 522 65.130 42.836 7.563 1.00 4.43 O ATOM 1346 CB LEU B 522 65.436 40.675 10.190 1.00 22.31 C ATOM 1347 CG LEU B 522 63.910 40.599 10.122 1.00 23.42 C ATOM 1348 CD1 LEU B 522 63.470 39.295 9.474 1.00 31.54 C ATOM 1349 CD2 LEU B 522 63.305 40.738 11.511 1.00 64.43 C ATOM 0 H LEU B 522 65.034 43.741 9.590 1.00 1.11 H new ATOM 0 HA LEU B 522 67.152 41.890 9.736 1.00 75.22 H new ATOM 0 HB2 LEU B 522 65.846 39.796 9.692 1.00 22.31 H new ATOM 0 HB3 LEU B 522 65.736 40.617 11.236 1.00 22.31 H new ATOM 0 HG LEU B 522 63.551 41.426 9.509 1.00 23.42 H new ATOM 0 HD11 LEU B 522 62.381 39.258 9.434 1.00 31.54 H new ATOM 0 HD12 LEU B 522 63.873 39.237 8.463 1.00 31.54 H new ATOM 0 HD13 LEU B 522 63.840 38.454 10.060 1.00 31.54 H new ATOM 0 HD21 LEU B 522 62.219 40.681 11.442 1.00 64.43 H new ATOM 0 HD22 LEU B 522 63.670 39.933 12.149 1.00 64.43 H new ATOM 0 HD23 LEU B 522 63.592 41.699 11.938 1.00 64.43 H new ATOM 1361 N THR B 523 66.365 40.965 7.362 1.00 53.05 N ATOM 1362 CA THR B 523 66.192 40.875 5.917 1.00 40.25 C ATOM 1363 C THR B 523 65.722 39.484 5.505 1.00 12.10 C ATOM 1364 O THR B 523 66.515 38.554 5.358 1.00 20.21 O ATOM 1365 CB THR B 523 67.499 41.205 5.174 1.00 32.04 C ATOM 1366 OG1 THR B 523 67.371 40.872 3.786 1.00 63.35 O ATOM 1367 CG2 THR B 523 68.671 40.445 5.776 1.00 73.11 C ATOM 0 H THR B 523 66.934 40.221 7.766 1.00 53.05 H new ATOM 0 HA THR B 523 65.433 41.607 5.643 1.00 40.25 H new ATOM 0 HB THR B 523 67.689 42.274 5.276 1.00 32.04 H new ATOM 0 HG1 THR B 523 68.206 41.086 3.320 1.00 63.35 H new ATOM 0 HG21 THR B 523 69.583 40.695 5.234 1.00 73.11 H new ATOM 0 HG22 THR B 523 68.784 40.722 6.824 1.00 73.11 H new ATOM 0 HG23 THR B 523 68.486 39.373 5.702 1.00 73.11 H new ATOM 1375 N PRO B 524 64.403 39.336 5.314 1.00 61.23 N ATOM 1376 CA PRO B 524 63.798 38.062 4.916 1.00 21.31 C ATOM 1377 C PRO B 524 64.149 37.678 3.482 1.00 11.10 C ATOM 1378 O PRO B 524 64.921 38.367 2.816 1.00 65.14 O ATOM 1379 CB PRO B 524 62.297 38.324 5.047 1.00 71.15 C ATOM 1380 CG PRO B 524 62.154 39.798 4.884 1.00 14.31 C ATOM 1381 CD PRO B 524 63.399 40.402 5.472 1.00 21.34 C ATOM 0 HA PRO B 524 64.154 37.233 5.528 1.00 21.31 H new ATOM 0 HB2 PRO B 524 61.733 37.785 4.286 1.00 71.15 H new ATOM 0 HB3 PRO B 524 61.921 37.994 6.015 1.00 71.15 H new ATOM 0 HG2 PRO B 524 62.049 40.066 3.833 1.00 14.31 H new ATOM 0 HG3 PRO B 524 61.264 40.163 5.396 1.00 14.31 H new ATOM 0 HD2 PRO B 524 63.692 41.311 4.946 1.00 21.34 H new ATOM 0 HD3 PRO B 524 63.259 40.671 6.519 1.00 21.34 H new ATOM 1389 N ASP B 525 63.577 36.574 3.013 1.00 31.30 N ATOM 1390 CA ASP B 525 63.826 36.100 1.657 1.00 51.41 C ATOM 1391 C ASP B 525 62.854 34.987 1.283 1.00 61.44 C ATOM 1392 O ASP B 525 62.075 34.522 2.116 1.00 70.22 O ATOM 1393 CB ASP B 525 65.267 35.601 1.527 1.00 53.22 C ATOM 1394 CG ASP B 525 65.828 35.810 0.134 1.00 74.23 C ATOM 1395 OD1 ASP B 525 66.704 35.022 -0.278 1.00 15.03 O ATOM 1396 OD2 ASP B 525 65.389 36.762 -0.546 1.00 4.21 O1- ATOM 0 H ASP B 525 62.937 35.991 3.553 1.00 31.30 H new ATOM 0 HA ASP B 525 63.674 36.934 0.972 1.00 51.41 H new ATOM 0 HB2 ASP B 525 65.895 36.121 2.250 1.00 53.22 H new ATOM 0 HB3 ASP B 525 65.305 34.540 1.776 1.00 53.22 H new ATOM 1401 N ALA B 526 62.903 34.562 0.024 1.00 64.40 N ATOM 1402 CA ALA B 526 62.027 33.503 -0.460 1.00 74.21 C ATOM 1403 C ALA B 526 62.650 32.775 -1.646 1.00 60.43 C ATOM 1404 O ALA B 526 63.761 33.095 -2.069 1.00 3.51 O ATOM 1405 CB ALA B 526 60.669 34.074 -0.842 1.00 22.02 C ATOM 0 H ALA B 526 63.541 34.936 -0.679 1.00 64.40 H new ATOM 0 HA ALA B 526 61.891 32.781 0.345 1.00 74.21 H new ATOM 0 HB1 ALA B 526 60.025 33.272 -1.202 1.00 22.02 H new ATOM 0 HB2 ALA B 526 60.213 34.542 0.030 1.00 22.02 H new ATOM 0 HB3 ALA B 526 60.795 34.818 -1.628 1.00 22.02 H new ATOM 1411 N SER B 527 61.928 31.794 -2.177 1.00 22.23 N ATOM 1412 CA SER B 527 62.413 31.016 -3.312 1.00 10.42 C ATOM 1413 C SER B 527 61.891 31.590 -4.626 1.00 55.23 C ATOM 1414 O SER B 527 60.687 31.587 -4.881 1.00 74.31 O ATOM 1415 CB SER B 527 61.985 29.554 -3.176 1.00 54.03 C ATOM 1416 OG SER B 527 61.660 29.241 -1.833 1.00 33.11 O ATOM 0 H SER B 527 61.005 31.519 -1.840 1.00 22.23 H new ATOM 0 HA SER B 527 63.502 31.069 -3.319 1.00 10.42 H new ATOM 0 HB2 SER B 527 61.124 29.363 -3.816 1.00 54.03 H new ATOM 0 HB3 SER B 527 62.789 28.903 -3.520 1.00 54.03 H new ATOM 0 HG SER B 527 61.388 28.301 -1.773 1.00 33.11 H new ATOM 1422 N GLU B 528 62.806 32.082 -5.455 1.00 34.44 N ATOM 1423 CA GLU B 528 62.438 32.661 -6.742 1.00 70.03 C ATOM 1424 C GLU B 528 61.898 31.589 -7.685 1.00 45.40 C ATOM 1425 O GLU B 528 61.582 30.477 -7.263 1.00 23.21 O ATOM 1426 CB GLU B 528 63.643 33.355 -7.378 1.00 24.51 C ATOM 1427 CG GLU B 528 64.684 32.391 -7.922 1.00 63.11 C ATOM 1428 CD GLU B 528 65.906 33.102 -8.472 1.00 25.14 C ATOM 1429 OE1 GLU B 528 66.707 33.616 -7.664 1.00 15.45 O ATOM 1430 OE2 GLU B 528 66.061 33.143 -9.711 1.00 52.05 O1- ATOM 0 H GLU B 528 63.807 32.091 -5.259 1.00 34.44 H new ATOM 0 HA GLU B 528 61.654 33.398 -6.569 1.00 70.03 H new ATOM 0 HB2 GLU B 528 63.296 33.997 -8.188 1.00 24.51 H new ATOM 0 HB3 GLU B 528 64.112 34.002 -6.637 1.00 24.51 H new ATOM 0 HG2 GLU B 528 64.991 31.709 -7.130 1.00 63.11 H new ATOM 0 HG3 GLU B 528 64.236 31.784 -8.709 1.00 63.11 H new ATOM 1437 N SER B 529 61.796 31.934 -8.965 1.00 24.10 N ATOM 1438 CA SER B 529 61.291 31.003 -9.969 1.00 74.23 C ATOM 1439 C SER B 529 62.270 29.855 -10.186 1.00 3.40 C ATOM 1440 O SER B 529 63.093 29.890 -11.101 1.00 61.24 O ATOM 1441 CB SER B 529 61.041 31.733 -11.290 1.00 63.34 C ATOM 1442 OG SER B 529 59.885 32.548 -11.213 1.00 34.34 O ATOM 0 H SER B 529 62.056 32.850 -9.331 1.00 24.10 H new ATOM 0 HA SER B 529 60.350 30.590 -9.606 1.00 74.23 H new ATOM 0 HB2 SER B 529 61.906 32.347 -11.539 1.00 63.34 H new ATOM 0 HB3 SER B 529 60.924 31.006 -12.094 1.00 63.34 H new ATOM 0 HG SER B 529 59.749 33.004 -12.069 1.00 34.34 H new ATOM 1448 N VAL B 530 62.174 28.835 -9.338 1.00 34.03 N ATOM 1449 CA VAL B 530 63.051 27.674 -9.436 1.00 72.15 C ATOM 1450 C VAL B 530 62.247 26.394 -9.632 1.00 13.35 C ATOM 1451 O VAL B 530 62.655 25.499 -10.370 1.00 62.34 O ATOM 1452 CB VAL B 530 63.931 27.527 -8.181 1.00 51.23 C ATOM 1453 CG1 VAL B 530 64.778 26.266 -8.267 1.00 75.24 C ATOM 1454 CG2 VAL B 530 64.808 28.757 -7.999 1.00 2.14 C ATOM 0 H VAL B 530 61.498 28.789 -8.576 1.00 34.03 H new ATOM 0 HA VAL B 530 63.692 27.834 -10.303 1.00 72.15 H new ATOM 0 HB VAL B 530 63.281 27.440 -7.310 1.00 51.23 H new ATOM 0 HG11 VAL B 530 65.393 26.179 -7.371 1.00 75.24 H new ATOM 0 HG12 VAL B 530 64.127 25.395 -8.346 1.00 75.24 H new ATOM 0 HG13 VAL B 530 65.421 26.319 -9.145 1.00 75.24 H new ATOM 0 HG21 VAL B 530 65.423 28.636 -7.107 1.00 2.14 H new ATOM 0 HG22 VAL B 530 65.451 28.877 -8.871 1.00 2.14 H new ATOM 0 HG23 VAL B 530 64.178 29.640 -7.888 1.00 2.14 H new ATOM 1464 N ASN B 531 61.100 26.315 -8.965 1.00 50.32 N ATOM 1465 CA ASN B 531 60.237 25.143 -9.065 1.00 54.32 C ATOM 1466 C ASN B 531 59.921 24.823 -10.522 1.00 34.52 C ATOM 1467 O ASN B 531 59.910 25.710 -11.376 1.00 34.23 O ATOM 1468 CB ASN B 531 58.938 25.373 -8.289 1.00 1.55 C ATOM 1469 CG ASN B 531 58.393 26.776 -8.476 1.00 54.25 C ATOM 1470 OD1 ASN B 531 57.730 27.069 -9.471 1.00 63.14 O ATOM 1471 ND2 ASN B 531 58.672 27.651 -7.517 1.00 21.12 N ATOM 0 H ASN B 531 60.747 27.048 -8.350 1.00 50.32 H new ATOM 0 HA ASN B 531 60.767 24.295 -8.632 1.00 54.32 H new ATOM 0 HB2 ASN B 531 58.191 24.650 -8.615 1.00 1.55 H new ATOM 0 HB3 ASN B 531 59.115 25.193 -7.229 1.00 1.55 H new ATOM 0 HD21 ASN B 531 58.333 28.610 -7.588 1.00 21.12 H new ATOM 0 HD22 ASN B 531 59.225 27.364 -6.710 1.00 21.12 H new ATOM 1478 N ASN B 532 59.663 23.549 -10.802 1.00 22.22 N ATOM 1479 CA ASN B 532 59.348 23.111 -12.156 1.00 1.42 C ATOM 1480 C ASN B 532 58.480 21.857 -12.134 1.00 44.13 C ATOM 1481 O ASN B 532 58.329 21.212 -11.095 1.00 32.50 O ATOM 1482 CB ASN B 532 60.633 22.842 -12.940 1.00 52.44 C ATOM 1483 CG ASN B 532 61.212 24.104 -13.552 1.00 72.53 C ATOM 1484 OD1 ASN B 532 60.510 24.861 -14.222 1.00 72.51 O ATOM 1485 ND2 ASN B 532 62.500 24.334 -13.323 1.00 42.51 N ATOM 0 H ASN B 532 59.666 22.802 -10.108 1.00 22.22 H new ATOM 0 HA ASN B 532 58.791 23.908 -12.648 1.00 1.42 H new ATOM 0 HB2 ASN B 532 61.372 22.391 -12.278 1.00 52.44 H new ATOM 0 HB3 ASN B 532 60.429 22.119 -13.730 1.00 52.44 H new ATOM 0 HD21 ASN B 532 62.946 25.166 -13.709 1.00 42.51 H new ATOM 0 HD22 ASN B 532 63.043 23.678 -12.761 1.00 42.51 H new ATOM 1492 N ILE B 533 57.913 21.516 -13.286 1.00 4.31 N ATOM 1493 CA ILE B 533 57.062 20.337 -13.399 1.00 60.32 C ATOM 1494 C ILE B 533 57.279 19.629 -14.732 1.00 54.13 C ATOM 1495 O ILE B 533 57.599 20.262 -15.739 1.00 12.31 O ATOM 1496 CB ILE B 533 55.573 20.703 -13.260 1.00 51.21 C ATOM 1497 CG1 ILE B 533 55.171 21.715 -14.336 1.00 70.53 C ATOM 1498 CG2 ILE B 533 55.291 21.258 -11.871 1.00 41.24 C ATOM 1499 CD1 ILE B 533 55.404 23.153 -13.930 1.00 11.24 C ATOM 0 H ILE B 533 58.027 22.039 -14.154 1.00 4.31 H new ATOM 0 HA ILE B 533 57.340 19.667 -12.585 1.00 60.32 H new ATOM 0 HB ILE B 533 54.978 19.800 -13.397 1.00 51.21 H new ATOM 0 HG12 ILE B 533 55.733 21.507 -15.247 1.00 70.53 H new ATOM 0 HG13 ILE B 533 54.116 21.580 -14.575 1.00 70.53 H new ATOM 0 HG21 ILE B 533 54.234 21.512 -11.788 1.00 41.24 H new ATOM 0 HG22 ILE B 533 55.544 20.508 -11.121 1.00 41.24 H new ATOM 0 HG23 ILE B 533 55.893 22.152 -11.707 1.00 41.24 H new ATOM 0 HD11 ILE B 533 55.097 23.814 -14.740 1.00 11.24 H new ATOM 0 HD12 ILE B 533 54.821 23.378 -13.037 1.00 11.24 H new ATOM 0 HD13 ILE B 533 56.463 23.305 -13.720 1.00 11.24 H new ATOM 1511 N LEU B 534 57.098 18.313 -14.732 1.00 4.44 N ATOM 1512 CA LEU B 534 57.272 17.518 -15.943 1.00 61.11 C ATOM 1513 C LEU B 534 56.016 17.563 -16.808 1.00 32.54 C ATOM 1514 O LEU B 534 54.900 17.419 -16.310 1.00 62.31 O ATOM 1515 CB LEU B 534 57.604 16.069 -15.582 1.00 2.04 C ATOM 1516 CG LEU B 534 56.416 15.180 -15.214 1.00 60.34 C ATOM 1517 CD1 LEU B 534 55.876 14.473 -16.446 1.00 34.13 C ATOM 1518 CD2 LEU B 534 56.816 14.169 -14.148 1.00 61.30 C ATOM 0 H LEU B 534 56.831 17.774 -13.908 1.00 4.44 H new ATOM 0 HA LEU B 534 58.099 17.943 -16.512 1.00 61.11 H new ATOM 0 HB2 LEU B 534 58.124 15.615 -16.426 1.00 2.04 H new ATOM 0 HB3 LEU B 534 58.301 16.075 -14.744 1.00 2.04 H new ATOM 0 HG LEU B 534 55.626 15.812 -14.808 1.00 60.34 H new ATOM 0 HD11 LEU B 534 55.031 13.845 -16.164 1.00 34.13 H new ATOM 0 HD12 LEU B 534 55.550 15.213 -17.177 1.00 34.13 H new ATOM 0 HD13 LEU B 534 56.659 13.853 -16.882 1.00 34.13 H new ATOM 0 HD21 LEU B 534 55.958 13.545 -13.898 1.00 61.30 H new ATOM 0 HD22 LEU B 534 57.623 13.542 -14.526 1.00 61.30 H new ATOM 0 HD23 LEU B 534 57.153 14.696 -13.255 1.00 61.30 H new ATOM 1530 N LYS B 535 56.207 17.761 -18.109 1.00 14.02 N ATOM 1531 CA LYS B 535 55.091 17.822 -19.046 1.00 64.31 C ATOM 1532 C LYS B 535 55.499 17.283 -20.413 1.00 72.41 C ATOM 1533 O LYS B 535 56.456 17.765 -21.020 1.00 14.31 O ATOM 1534 CB LYS B 535 54.591 19.262 -19.181 1.00 54.24 C ATOM 1535 CG LYS B 535 53.510 19.628 -18.179 1.00 50.42 C ATOM 1536 CD LYS B 535 52.563 20.677 -18.738 1.00 13.13 C ATOM 1537 CE LYS B 535 51.404 20.039 -19.486 1.00 52.33 C ATOM 1538 NZ LYS B 535 50.196 20.909 -19.485 1.00 62.51 N1+ ATOM 0 H LYS B 535 57.124 17.882 -18.538 1.00 14.02 H new ATOM 0 HA LYS B 535 54.286 17.200 -18.656 1.00 64.31 H new ATOM 0 HB2 LYS B 535 55.433 19.943 -19.059 1.00 54.24 H new ATOM 0 HB3 LYS B 535 54.205 19.410 -20.189 1.00 54.24 H new ATOM 0 HG2 LYS B 535 52.946 18.735 -17.908 1.00 50.42 H new ATOM 0 HG3 LYS B 535 53.971 20.003 -17.265 1.00 50.42 H new ATOM 0 HD2 LYS B 535 52.178 21.292 -17.924 1.00 13.13 H new ATOM 0 HD3 LYS B 535 53.109 21.341 -19.408 1.00 13.13 H new ATOM 0 HE2 LYS B 535 51.704 19.835 -20.514 1.00 52.33 H new ATOM 0 HE3 LYS B 535 51.161 19.080 -19.029 1.00 52.33 H new ATOM 0 HZ1 LYS B 535 49.428 20.438 -20.005 1.00 62.51 H new ATOM 0 HZ2 LYS B 535 49.894 21.083 -18.505 1.00 62.51 H new ATOM 0 HZ3 LYS B 535 50.420 21.815 -19.944 1.00 62.51 H new ATOM 1552 N GLN B 536 54.767 16.282 -20.891 1.00 24.12 N ATOM 1553 CA GLN B 536 55.054 15.679 -22.187 1.00 22.34 C ATOM 1554 C GLN B 536 53.787 15.105 -22.813 1.00 62.32 C ATOM 1555 O GLN B 536 52.923 14.576 -22.114 1.00 50.41 O ATOM 1556 CB GLN B 536 56.107 14.579 -22.041 1.00 51.31 C ATOM 1557 CG GLN B 536 57.454 15.088 -21.552 1.00 35.41 C ATOM 1558 CD GLN B 536 58.580 14.107 -21.817 1.00 30.51 C ATOM 1559 OE1 GLN B 536 58.550 12.969 -21.347 1.00 45.21 O ATOM 1560 NE2 GLN B 536 59.579 14.544 -22.575 1.00 61.41 N ATOM 0 H GLN B 536 53.972 15.872 -20.401 1.00 24.12 H new ATOM 0 HA GLN B 536 55.442 16.458 -22.843 1.00 22.34 H new ATOM 0 HB2 GLN B 536 55.739 13.825 -21.346 1.00 51.31 H new ATOM 0 HB3 GLN B 536 56.242 14.086 -23.004 1.00 51.31 H new ATOM 0 HG2 GLN B 536 57.680 16.035 -22.042 1.00 35.41 H new ATOM 0 HG3 GLN B 536 57.396 15.288 -20.482 1.00 35.41 H new ATOM 0 HE21 GLN B 536 59.562 15.495 -22.943 1.00 61.41 H new ATOM 0 HE22 GLN B 536 60.364 13.928 -22.789 1.00 61.41 H new ATOM 1569 N SER B 537 53.683 15.214 -24.134 1.00 14.31 N ATOM 1570 CA SER B 537 52.519 14.710 -24.852 1.00 14.23 C ATOM 1571 C SER B 537 52.662 14.947 -26.353 1.00 74.01 C ATOM 1572 O SER B 537 53.262 15.932 -26.783 1.00 11.11 O ATOM 1573 CB SER B 537 51.245 15.383 -24.338 1.00 13.52 C ATOM 1574 OG SER B 537 50.597 14.575 -23.370 1.00 64.54 O ATOM 0 H SER B 537 54.391 15.647 -24.728 1.00 14.31 H new ATOM 0 HA SER B 537 52.451 13.637 -24.675 1.00 14.23 H new ATOM 0 HB2 SER B 537 51.492 16.351 -23.902 1.00 13.52 H new ATOM 0 HB3 SER B 537 50.568 15.572 -25.171 1.00 13.52 H new ATOM 0 HG SER B 537 51.230 14.346 -22.658 1.00 64.54 H new ATOM 1580 N GLY B 538 52.109 14.034 -27.145 1.00 40.34 N ATOM 1581 CA GLY B 538 52.187 14.161 -28.589 1.00 13.30 C ATOM 1582 C GLY B 538 51.542 12.992 -29.309 1.00 44.23 C ATOM 1583 O GLY B 538 51.533 11.871 -28.801 1.00 4.52 O ATOM 0 H GLY B 538 51.609 13.209 -26.813 1.00 40.34 H new ATOM 0 HA2 GLY B 538 51.700 15.087 -28.896 1.00 13.30 H new ATOM 0 HA3 GLY B 538 53.232 14.236 -28.888 1.00 13.30 H new ATOM 1587 N ALA B 539 51.002 13.255 -30.494 1.00 15.34 N ATOM 1588 CA ALA B 539 50.353 12.215 -31.284 1.00 61.14 C ATOM 1589 C ALA B 539 49.917 12.752 -32.644 1.00 52.01 C ATOM 1590 O ALA B 539 49.918 13.961 -32.874 1.00 53.15 O ATOM 1591 CB ALA B 539 49.159 11.648 -30.532 1.00 63.32 C ATOM 0 H ALA B 539 51.001 14.178 -30.928 1.00 15.34 H new ATOM 0 HA ALA B 539 51.075 11.416 -31.451 1.00 61.14 H new ATOM 0 HB1 ALA B 539 48.685 10.873 -31.134 1.00 63.32 H new ATOM 0 HB2 ALA B 539 49.494 11.220 -29.587 1.00 63.32 H new ATOM 0 HB3 ALA B 539 48.441 12.444 -30.335 1.00 63.32 H new ATOM 1597 N TRP B 540 49.546 11.845 -33.540 1.00 64.23 N ATOM 1598 CA TRP B 540 49.109 12.228 -34.878 1.00 74.22 C ATOM 1599 C TRP B 540 48.011 11.296 -35.380 1.00 14.34 C ATOM 1600 O TRP B 540 48.201 10.081 -35.450 1.00 54.13 O ATOM 1601 CB TRP B 540 50.292 12.212 -35.848 1.00 74.04 C ATOM 1602 CG TRP B 540 51.529 12.842 -35.286 1.00 15.41 C ATOM 1603 CD1 TRP B 540 52.519 12.219 -34.580 1.00 11.20 C ATOM 1604 CD2 TRP B 540 51.909 14.220 -35.381 1.00 44.12 C ATOM 1605 NE1 TRP B 540 53.490 13.126 -34.231 1.00 30.21 N ATOM 1606 CE2 TRP B 540 53.140 14.360 -34.710 1.00 22.41 C ATOM 1607 CE3 TRP B 540 51.328 15.348 -35.968 1.00 53.35 C ATOM 1608 CZ2 TRP B 540 53.798 15.584 -34.612 1.00 34.03 C ATOM 1609 CZ3 TRP B 540 51.983 16.561 -35.869 1.00 24.52 C ATOM 1610 CH2 TRP B 540 53.207 16.671 -35.196 1.00 22.11 C ATOM 0 H TRP B 540 49.539 10.840 -33.365 1.00 64.23 H new ATOM 0 HA TRP B 540 48.705 13.239 -34.825 1.00 74.22 H new ATOM 0 HB2 TRP B 540 50.512 11.181 -36.125 1.00 74.04 H new ATOM 0 HB3 TRP B 540 50.010 12.734 -36.762 1.00 74.04 H new ATOM 0 HD1 TRP B 540 52.536 11.168 -34.333 1.00 11.20 H new ATOM 0 HE1 TRP B 540 54.335 12.914 -33.701 1.00 30.21 H new ATOM 0 HE3 TRP B 540 50.385 15.273 -36.489 1.00 53.35 H new ATOM 0 HZ2 TRP B 540 54.741 15.672 -34.093 1.00 34.03 H new ATOM 0 HZ3 TRP B 540 51.544 17.439 -36.318 1.00 24.52 H new ATOM 0 HH2 TRP B 540 53.694 17.633 -35.137 1.00 22.11 H new ATOM 1621 N SER B 541 46.866 11.871 -35.728 1.00 34.54 N ATOM 1622 CA SER B 541 45.736 11.091 -36.220 1.00 2.20 C ATOM 1623 C SER B 541 44.554 11.995 -36.552 1.00 32.22 C ATOM 1624 O SER B 541 44.407 13.078 -35.987 1.00 42.44 O ATOM 1625 CB SER B 541 45.318 10.049 -35.181 1.00 3.02 C ATOM 1626 OG SER B 541 43.916 9.847 -35.196 1.00 54.44 O ATOM 0 H SER B 541 46.695 12.875 -35.679 1.00 34.54 H new ATOM 0 HA SER B 541 46.048 10.581 -37.132 1.00 2.20 H new ATOM 0 HB2 SER B 541 45.826 9.106 -35.382 1.00 3.02 H new ATOM 0 HB3 SER B 541 45.631 10.374 -34.189 1.00 3.02 H new ATOM 0 HG SER B 541 43.654 9.314 -34.416 1.00 54.44 H new ATOM 1632 N GLY B 542 43.712 11.543 -37.477 1.00 4.53 N ATOM 1633 CA GLY B 542 42.554 12.322 -37.871 1.00 64.24 C ATOM 1634 C GLY B 542 41.263 11.779 -37.288 1.00 5.44 C ATOM 1635 O GLY B 542 40.196 11.926 -37.884 1.00 43.23 O ATOM 0 H GLY B 542 43.812 10.650 -37.960 1.00 4.53 H new ATOM 0 HA2 GLY B 542 42.688 13.355 -37.549 1.00 64.24 H new ATOM 0 HA3 GLY B 542 42.481 12.334 -38.958 1.00 64.24 H new ATOM 1639 N ASP B 543 41.362 11.148 -36.124 1.00 11.14 N ATOM 1640 CA ASP B 543 40.194 10.579 -35.462 1.00 52.52 C ATOM 1641 C ASP B 543 39.553 11.596 -34.523 1.00 13.13 C ATOM 1642 O ASP B 543 38.333 11.618 -34.354 1.00 20.02 O ATOM 1643 CB ASP B 543 40.584 9.323 -34.682 1.00 25.25 C ATOM 1644 CG ASP B 543 41.399 8.353 -35.517 1.00 14.33 C ATOM 1645 OD1 ASP B 543 41.280 8.394 -36.759 1.00 4.03 O ATOM 1646 OD2 ASP B 543 42.155 7.554 -34.927 1.00 51.20 O1- ATOM 0 H ASP B 543 42.239 11.017 -35.619 1.00 11.14 H new ATOM 0 HA ASP B 543 39.468 10.310 -36.229 1.00 52.52 H new ATOM 0 HB2 ASP B 543 41.157 9.610 -33.800 1.00 25.25 H new ATOM 0 HB3 ASP B 543 39.682 8.824 -34.328 1.00 25.25 H new ATOM 1651 N ASP B 544 40.382 12.436 -33.913 1.00 15.42 N ATOM 1652 CA ASP B 544 39.896 13.456 -32.991 1.00 51.14 C ATOM 1653 C ASP B 544 38.742 14.240 -33.607 1.00 4.23 C ATOM 1654 O ASP B 544 37.843 14.699 -32.901 1.00 2.42 O ATOM 1655 CB ASP B 544 41.030 14.409 -32.609 1.00 73.54 C ATOM 1656 CG ASP B 544 41.769 13.961 -31.363 1.00 21.23 C ATOM 1657 OD1 ASP B 544 41.102 13.517 -30.404 1.00 50.03 O ATOM 1658 OD2 ASP B 544 43.013 14.052 -31.347 1.00 63.43 O1- ATOM 0 H ASP B 544 41.394 12.431 -34.040 1.00 15.42 H new ATOM 0 HA ASP B 544 39.533 12.956 -32.093 1.00 51.14 H new ATOM 0 HB2 ASP B 544 41.734 14.482 -33.438 1.00 73.54 H new ATOM 0 HB3 ASP B 544 40.623 15.407 -32.447 1.00 73.54 H new ATOM 1663 N LYS B 545 38.773 14.391 -34.926 1.00 75.25 N ATOM 1664 CA LYS B 545 37.730 15.118 -35.638 1.00 24.24 C ATOM 1665 C LYS B 545 36.345 14.635 -35.218 1.00 33.21 C ATOM 1666 O LYS B 545 35.490 15.431 -34.828 1.00 50.14 O ATOM 1667 CB LYS B 545 37.903 14.952 -37.150 1.00 64.44 C ATOM 1668 CG LYS B 545 38.743 16.043 -37.790 1.00 54.23 C ATOM 1669 CD LYS B 545 40.131 16.110 -37.176 1.00 42.41 C ATOM 1670 CE LYS B 545 41.103 16.861 -38.075 1.00 62.41 C ATOM 1671 NZ LYS B 545 42.517 16.492 -37.793 1.00 40.23 N1+ ATOM 0 H LYS B 545 39.510 14.019 -35.524 1.00 75.25 H new ATOM 0 HA LYS B 545 37.820 16.174 -35.382 1.00 24.24 H new ATOM 0 HB2 LYS B 545 38.365 13.985 -37.350 1.00 64.44 H new ATOM 0 HB3 LYS B 545 36.920 14.939 -37.620 1.00 64.44 H new ATOM 0 HG2 LYS B 545 38.826 15.858 -38.861 1.00 54.23 H new ATOM 0 HG3 LYS B 545 38.244 17.005 -37.670 1.00 54.23 H new ATOM 0 HD2 LYS B 545 40.077 16.602 -36.205 1.00 42.41 H new ATOM 0 HD3 LYS B 545 40.502 15.100 -37.001 1.00 42.41 H new ATOM 0 HE2 LYS B 545 40.873 16.646 -39.118 1.00 62.41 H new ATOM 0 HE3 LYS B 545 40.973 17.934 -37.934 1.00 62.41 H new ATOM 0 HZ1 LYS B 545 43.150 17.062 -38.390 1.00 40.23 H new ATOM 0 HZ2 LYS B 545 42.730 16.673 -36.791 1.00 40.23 H new ATOM 0 HZ3 LYS B 545 42.660 15.483 -38.000 1.00 40.23 H new ATOM 1685 N LEU B 546 36.131 13.327 -35.300 1.00 71.42 N ATOM 1686 CA LEU B 546 34.850 12.736 -34.927 1.00 33.24 C ATOM 1687 C LEU B 546 34.845 12.330 -33.457 1.00 5.43 C ATOM 1688 O LEU B 546 33.799 12.326 -32.808 1.00 43.24 O ATOM 1689 CB LEU B 546 34.552 11.519 -35.805 1.00 40.40 C ATOM 1690 CG LEU B 546 35.539 10.356 -35.698 1.00 10.12 C ATOM 1691 CD1 LEU B 546 35.111 9.392 -34.602 1.00 23.44 C ATOM 1692 CD2 LEU B 546 35.658 9.633 -37.031 1.00 60.44 C ATOM 0 H LEU B 546 36.828 12.655 -35.621 1.00 71.42 H new ATOM 0 HA LEU B 546 34.074 13.486 -35.080 1.00 33.24 H new ATOM 0 HB2 LEU B 546 33.558 11.150 -35.554 1.00 40.40 H new ATOM 0 HB3 LEU B 546 34.518 11.846 -36.844 1.00 40.40 H new ATOM 0 HG LEU B 546 36.518 10.758 -35.438 1.00 10.12 H new ATOM 0 HD11 LEU B 546 35.825 8.571 -34.540 1.00 23.44 H new ATOM 0 HD12 LEU B 546 35.079 9.917 -33.647 1.00 23.44 H new ATOM 0 HD13 LEU B 546 34.122 8.996 -34.832 1.00 23.44 H new ATOM 0 HD21 LEU B 546 36.365 8.808 -36.936 1.00 60.44 H new ATOM 0 HD22 LEU B 546 34.683 9.243 -37.322 1.00 60.44 H new ATOM 0 HD23 LEU B 546 36.012 10.329 -37.792 1.00 60.44 H new ATOM 1704 N GLN B 547 36.021 11.994 -32.937 1.00 42.22 N ATOM 1705 CA GLN B 547 36.152 11.588 -31.543 1.00 10.14 C ATOM 1706 C GLN B 547 35.513 12.616 -30.615 1.00 64.45 C ATOM 1707 O GLN B 547 34.750 12.266 -29.713 1.00 15.25 O ATOM 1708 CB GLN B 547 37.626 11.402 -31.180 1.00 1.31 C ATOM 1709 CG GLN B 547 37.906 10.123 -30.409 1.00 14.25 C ATOM 1710 CD GLN B 547 39.238 10.157 -29.685 1.00 4.03 C ATOM 1711 OE1 GLN B 547 40.244 9.657 -30.190 1.00 45.43 O ATOM 1712 NE2 GLN B 547 39.252 10.749 -28.497 1.00 30.11 N ATOM 0 H GLN B 547 36.897 11.995 -33.460 1.00 42.22 H new ATOM 0 HA GLN B 547 35.632 10.638 -31.417 1.00 10.14 H new ATOM 0 HB2 GLN B 547 38.220 11.403 -32.094 1.00 1.31 H new ATOM 0 HB3 GLN B 547 37.955 12.254 -30.586 1.00 1.31 H new ATOM 0 HG2 GLN B 547 37.108 9.957 -29.685 1.00 14.25 H new ATOM 0 HG3 GLN B 547 37.893 9.278 -31.097 1.00 14.25 H new ATOM 0 HE21 GLN B 547 38.395 11.150 -28.117 1.00 30.11 H new ATOM 0 HE22 GLN B 547 40.120 10.803 -27.964 1.00 30.11 H new ATOM 1721 N LYS B 548 35.828 13.887 -30.841 1.00 13.42 N ATOM 1722 CA LYS B 548 35.286 14.967 -30.026 1.00 2.43 C ATOM 1723 C LYS B 548 33.773 14.832 -29.883 1.00 11.31 C ATOM 1724 O LYS B 548 33.239 14.879 -28.774 1.00 25.34 O ATOM 1725 CB LYS B 548 35.631 16.323 -30.646 1.00 44.51 C ATOM 1726 CG LYS B 548 35.271 16.429 -32.118 1.00 74.23 C ATOM 1727 CD LYS B 548 36.156 17.434 -32.837 1.00 50.13 C ATOM 1728 CE LYS B 548 36.024 18.824 -32.235 1.00 33.50 C ATOM 1729 NZ LYS B 548 36.819 19.833 -32.989 1.00 32.25 N1+ ATOM 0 H LYS B 548 36.457 14.194 -31.583 1.00 13.42 H new ATOM 0 HA LYS B 548 35.735 14.903 -29.035 1.00 2.43 H new ATOM 0 HB2 LYS B 548 35.111 17.107 -30.096 1.00 44.51 H new ATOM 0 HB3 LYS B 548 36.699 16.506 -30.528 1.00 44.51 H new ATOM 0 HG2 LYS B 548 35.371 15.451 -32.589 1.00 74.23 H new ATOM 0 HG3 LYS B 548 34.227 16.725 -32.218 1.00 74.23 H new ATOM 0 HD2 LYS B 548 37.195 17.110 -32.782 1.00 50.13 H new ATOM 0 HD3 LYS B 548 35.888 17.467 -33.893 1.00 50.13 H new ATOM 0 HE2 LYS B 548 34.975 19.119 -32.229 1.00 33.50 H new ATOM 0 HE3 LYS B 548 36.355 18.803 -31.197 1.00 33.50 H new ATOM 0 HZ1 LYS B 548 36.703 20.767 -32.547 1.00 32.25 H new ATOM 0 HZ2 LYS B 548 37.824 19.565 -32.973 1.00 32.25 H new ATOM 0 HZ3 LYS B 548 36.486 19.872 -33.974 1.00 32.25 H new ATOM 1743 N TRP B 549 33.089 14.665 -31.009 1.00 35.00 N ATOM 1744 CA TRP B 549 31.638 14.521 -31.007 1.00 23.03 C ATOM 1745 C TRP B 549 31.212 13.302 -30.198 1.00 60.44 C ATOM 1746 O TRP B 549 30.491 13.423 -29.207 1.00 13.42 O ATOM 1747 CB TRP B 549 31.114 14.407 -32.440 1.00 1.00 C ATOM 1748 CG TRP B 549 31.526 15.550 -33.316 1.00 25.34 C ATOM 1749 CD1 TRP B 549 32.705 15.682 -33.993 1.00 72.04 C ATOM 1750 CD2 TRP B 549 30.761 16.725 -33.608 1.00 30.01 C ATOM 1751 NE1 TRP B 549 32.718 16.866 -34.688 1.00 44.41 N ATOM 1752 CE2 TRP B 549 31.537 17.525 -34.469 1.00 22.31 C ATOM 1753 CE3 TRP B 549 29.495 17.178 -33.226 1.00 22.22 C ATOM 1754 CZ2 TRP B 549 31.088 18.750 -34.953 1.00 14.33 C ATOM 1755 CZ3 TRP B 549 29.051 18.396 -33.707 1.00 41.43 C ATOM 1756 CH2 TRP B 549 29.845 19.171 -34.563 1.00 4.25 C ATOM 0 H TRP B 549 33.516 14.626 -31.935 1.00 35.00 H new ATOM 0 HA TRP B 549 31.211 15.409 -30.541 1.00 23.03 H new ATOM 0 HB2 TRP B 549 31.473 13.476 -32.877 1.00 1.00 H new ATOM 0 HB3 TRP B 549 30.026 14.350 -32.418 1.00 1.00 H new ATOM 0 HD1 TRP B 549 33.509 14.961 -33.983 1.00 72.04 H new ATOM 0 HE1 TRP B 549 33.483 17.201 -35.273 1.00 44.41 H new ATOM 0 HE3 TRP B 549 28.875 16.588 -32.567 1.00 22.22 H new ATOM 0 HZ2 TRP B 549 31.699 19.348 -35.613 1.00 14.33 H new ATOM 0 HZ3 TRP B 549 28.075 18.756 -33.418 1.00 41.43 H new ATOM 0 HH2 TRP B 549 29.469 20.118 -34.922 1.00 4.25 H new ATOM 1767 N VAL B 550 31.661 12.127 -30.625 1.00 65.43 N ATOM 1768 CA VAL B 550 31.327 10.885 -29.939 1.00 41.32 C ATOM 1769 C VAL B 550 31.657 10.971 -28.453 1.00 70.33 C ATOM 1770 O VAL B 550 30.786 10.795 -27.602 1.00 22.45 O ATOM 1771 CB VAL B 550 32.078 9.686 -30.551 1.00 23.22 C ATOM 1772 CG1 VAL B 550 31.695 8.397 -29.840 1.00 20.12 C ATOM 1773 CG2 VAL B 550 31.794 9.586 -32.043 1.00 22.45 C ATOM 0 H VAL B 550 32.258 12.009 -31.444 1.00 65.43 H new ATOM 0 HA VAL B 550 30.254 10.735 -30.062 1.00 41.32 H new ATOM 0 HB VAL B 550 33.148 9.842 -30.417 1.00 23.22 H new ATOM 0 HG11 VAL B 550 32.235 7.561 -30.286 1.00 20.12 H new ATOM 0 HG12 VAL B 550 31.953 8.474 -28.784 1.00 20.12 H new ATOM 0 HG13 VAL B 550 30.622 8.231 -29.941 1.00 20.12 H new ATOM 0 HG21 VAL B 550 32.332 8.734 -32.459 1.00 22.45 H new ATOM 0 HG22 VAL B 550 30.724 9.452 -32.202 1.00 22.45 H new ATOM 0 HG23 VAL B 550 32.123 10.500 -32.538 1.00 22.45 H new ATOM 1783 N ARG B 551 32.923 11.244 -28.149 1.00 22.31 N ATOM 1784 CA ARG B 551 33.369 11.355 -26.765 1.00 13.54 C ATOM 1785 C ARG B 551 32.401 12.206 -25.948 1.00 30.45 C ATOM 1786 O ARG B 551 32.134 11.914 -24.782 1.00 43.25 O ATOM 1787 CB ARG B 551 34.772 11.961 -26.707 1.00 20.34 C ATOM 1788 CG ARG B 551 35.581 11.508 -25.502 1.00 75.53 C ATOM 1789 CD ARG B 551 35.074 12.148 -24.219 1.00 51.12 C ATOM 1790 NE ARG B 551 36.163 12.704 -23.419 1.00 55.05 N ATOM 1791 CZ ARG B 551 36.971 11.968 -22.664 1.00 23.44 C ATOM 1792 NH1 ARG B 551 36.814 10.652 -22.607 1.00 74.33 N1+ ATOM 1793 NH2 ARG B 551 37.938 12.547 -21.964 1.00 20.42 N ATOM 0 H ARG B 551 33.657 11.392 -28.842 1.00 22.31 H new ATOM 0 HA ARG B 551 33.395 10.353 -26.336 1.00 13.54 H new ATOM 0 HB2 ARG B 551 35.311 11.696 -27.617 1.00 20.34 H new ATOM 0 HB3 ARG B 551 34.689 13.048 -26.691 1.00 20.34 H new ATOM 0 HG2 ARG B 551 35.529 10.423 -25.414 1.00 75.53 H new ATOM 0 HG3 ARG B 551 36.630 11.766 -25.649 1.00 75.53 H new ATOM 0 HD2 ARG B 551 34.364 12.938 -24.464 1.00 51.12 H new ATOM 0 HD3 ARG B 551 34.535 11.405 -23.631 1.00 51.12 H new ATOM 0 HE ARG B 551 36.311 13.713 -23.442 1.00 55.05 H new ATOM 0 HH11 ARG B 551 36.072 10.203 -23.144 1.00 74.33 H new ATOM 0 HH12 ARG B 551 37.436 10.089 -22.027 1.00 74.33 H new ATOM 0 HH21 ARG B 551 38.062 13.559 -22.005 1.00 20.42 H new ATOM 0 HH22 ARG B 551 38.558 11.980 -21.385 1.00 20.42 H new ATOM 1807 N VAL B 552 31.877 13.258 -26.568 1.00 73.21 N ATOM 1808 CA VAL B 552 30.938 14.150 -25.899 1.00 53.54 C ATOM 1809 C VAL B 552 29.612 13.450 -25.629 1.00 31.11 C ATOM 1810 O VAL B 552 29.032 13.591 -24.551 1.00 31.43 O ATOM 1811 CB VAL B 552 30.675 15.418 -26.735 1.00 22.20 C ATOM 1812 CG1 VAL B 552 29.304 15.993 -26.416 1.00 64.04 C ATOM 1813 CG2 VAL B 552 31.766 16.451 -26.491 1.00 14.55 C ATOM 0 H VAL B 552 32.087 13.514 -27.533 1.00 73.21 H new ATOM 0 HA VAL B 552 31.394 14.436 -24.951 1.00 53.54 H new ATOM 0 HB VAL B 552 30.692 15.147 -27.791 1.00 22.20 H new ATOM 0 HG11 VAL B 552 29.136 16.888 -27.016 1.00 64.04 H new ATOM 0 HG12 VAL B 552 28.537 15.253 -26.645 1.00 64.04 H new ATOM 0 HG13 VAL B 552 29.255 16.251 -25.358 1.00 64.04 H new ATOM 0 HG21 VAL B 552 31.565 17.340 -27.089 1.00 14.55 H new ATOM 0 HG22 VAL B 552 31.783 16.720 -25.435 1.00 14.55 H new ATOM 0 HG23 VAL B 552 32.732 16.034 -26.775 1.00 14.55 H new ATOM 1823 N TYR B 553 29.136 12.695 -26.613 1.00 3.04 N ATOM 1824 CA TYR B 553 27.876 11.973 -26.481 1.00 51.43 C ATOM 1825 C TYR B 553 27.925 10.999 -25.307 1.00 23.41 C ATOM 1826 O TYR B 553 26.960 10.866 -24.554 1.00 65.22 O ATOM 1827 CB TYR B 553 27.560 11.217 -27.772 1.00 50.50 C ATOM 1828 CG TYR B 553 27.306 9.741 -27.564 1.00 4.03 C ATOM 1829 CD1 TYR B 553 26.061 9.283 -27.150 1.00 41.54 C ATOM 1830 CD2 TYR B 553 28.309 8.805 -27.779 1.00 41.34 C ATOM 1831 CE1 TYR B 553 25.823 7.936 -26.956 1.00 21.35 C ATOM 1832 CE2 TYR B 553 28.081 7.456 -27.590 1.00 34.42 C ATOM 1833 CZ TYR B 553 26.837 7.026 -27.178 1.00 52.22 C ATOM 1834 OH TYR B 553 26.605 5.683 -26.988 1.00 2.33 O ATOM 0 H TYR B 553 29.603 12.567 -27.510 1.00 3.04 H new ATOM 0 HA TYR B 553 27.088 12.702 -26.292 1.00 51.43 H new ATOM 0 HB2 TYR B 553 26.684 11.665 -28.240 1.00 50.50 H new ATOM 0 HB3 TYR B 553 28.391 11.340 -28.467 1.00 50.50 H new ATOM 0 HD1 TYR B 553 25.265 9.993 -26.977 1.00 41.54 H new ATOM 0 HD2 TYR B 553 29.285 9.138 -28.100 1.00 41.34 H new ATOM 0 HE1 TYR B 553 24.850 7.597 -26.633 1.00 21.35 H new ATOM 0 HE2 TYR B 553 28.872 6.742 -27.764 1.00 34.42 H new ATOM 0 HH TYR B 553 25.663 5.485 -27.171 1.00 2.33 H new ATOM 1844 N LEU B 554 29.057 10.320 -25.158 1.00 55.44 N ATOM 1845 CA LEU B 554 29.235 9.358 -24.076 1.00 42.23 C ATOM 1846 C LEU B 554 29.663 10.058 -22.790 1.00 53.42 C ATOM 1847 O LEU B 554 29.389 9.578 -21.690 1.00 74.44 O ATOM 1848 CB LEU B 554 30.276 8.307 -24.467 1.00 44.44 C ATOM 1849 CG LEU B 554 31.610 8.844 -24.987 1.00 51.24 C ATOM 1850 CD1 LEU B 554 32.657 8.831 -23.884 1.00 24.32 C ATOM 1851 CD2 LEU B 554 32.083 8.032 -26.184 1.00 32.42 C ATOM 0 H LEU B 554 29.865 10.418 -25.773 1.00 55.44 H new ATOM 0 HA LEU B 554 28.278 8.866 -23.900 1.00 42.23 H new ATOM 0 HB2 LEU B 554 30.474 7.680 -23.598 1.00 44.44 H new ATOM 0 HB3 LEU B 554 29.843 7.663 -25.233 1.00 44.44 H new ATOM 0 HG LEU B 554 31.464 9.875 -25.309 1.00 51.24 H new ATOM 0 HD11 LEU B 554 33.600 9.216 -24.273 1.00 24.32 H new ATOM 0 HD12 LEU B 554 32.322 9.457 -23.057 1.00 24.32 H new ATOM 0 HD13 LEU B 554 32.801 7.810 -23.531 1.00 24.32 H new ATOM 0 HD21 LEU B 554 33.034 8.429 -26.540 1.00 32.42 H new ATOM 0 HD22 LEU B 554 32.212 6.991 -25.889 1.00 32.42 H new ATOM 0 HD23 LEU B 554 31.342 8.094 -26.981 1.00 32.42 H new ATOM 1863 N ASP B 555 30.333 11.195 -22.936 1.00 73.25 N ATOM 1864 CA ASP B 555 30.795 11.964 -21.786 1.00 31.31 C ATOM 1865 C ASP B 555 29.628 12.659 -21.092 1.00 23.23 C ATOM 1866 O ASP B 555 29.625 12.822 -19.872 1.00 34.14 O ATOM 1867 CB ASP B 555 31.834 12.999 -22.221 1.00 72.13 C ATOM 1868 CG ASP B 555 32.234 13.929 -21.093 1.00 53.31 C ATOM 1869 OD1 ASP B 555 32.880 13.456 -20.135 1.00 34.15 O ATOM 1870 OD2 ASP B 555 31.899 15.130 -21.166 1.00 21.01 O1- ATOM 0 H ASP B 555 30.569 11.605 -23.840 1.00 73.25 H new ATOM 0 HA ASP B 555 31.255 11.273 -21.080 1.00 31.31 H new ATOM 0 HB2 ASP B 555 32.719 12.485 -22.595 1.00 72.13 H new ATOM 0 HB3 ASP B 555 31.433 13.586 -23.047 1.00 72.13 H new ATOM 1875 N ARG B 556 28.637 13.068 -21.879 1.00 10.54 N ATOM 1876 CA ARG B 556 27.465 13.748 -21.340 1.00 54.44 C ATOM 1877 C ARG B 556 26.436 12.740 -20.836 1.00 72.41 C ATOM 1878 O ARG B 556 25.709 13.006 -19.879 1.00 3.24 O ATOM 1879 CB ARG B 556 26.835 14.646 -22.407 1.00 35.13 C ATOM 1880 CG ARG B 556 26.342 13.887 -23.628 1.00 22.30 C ATOM 1881 CD ARG B 556 24.890 13.463 -23.472 1.00 71.10 C ATOM 1882 NE ARG B 556 24.614 12.195 -24.143 1.00 44.32 N ATOM 1883 CZ ARG B 556 23.416 11.850 -24.600 1.00 73.04 C ATOM 1884 NH1 ARG B 556 22.388 12.675 -24.460 1.00 65.23 N1+ ATOM 1885 NH2 ARG B 556 23.244 10.679 -25.199 1.00 21.52 N ATOM 0 H ARG B 556 28.623 12.940 -22.891 1.00 10.54 H new ATOM 0 HA ARG B 556 27.787 14.364 -20.500 1.00 54.44 H new ATOM 0 HB2 ARG B 556 25.999 15.189 -21.966 1.00 35.13 H new ATOM 0 HB3 ARG B 556 27.567 15.389 -22.723 1.00 35.13 H new ATOM 0 HG2 ARG B 556 26.446 14.514 -24.514 1.00 22.30 H new ATOM 0 HG3 ARG B 556 26.964 13.006 -23.786 1.00 22.30 H new ATOM 0 HD2 ARG B 556 24.651 13.372 -22.412 1.00 71.10 H new ATOM 0 HD3 ARG B 556 24.241 14.238 -23.880 1.00 71.10 H new ATOM 0 HE ARG B 556 25.384 11.538 -24.267 1.00 44.32 H new ATOM 0 HH11 ARG B 556 22.517 13.577 -24.001 1.00 65.23 H new ATOM 0 HH12 ARG B 556 21.468 12.408 -24.812 1.00 65.23 H new ATOM 0 HH21 ARG B 556 24.033 10.042 -25.309 1.00 21.52 H new ATOM 0 HH22 ARG B 556 22.323 10.416 -25.549 1.00 21.52 H new ATOM 1899 N GLY B 557 26.381 11.581 -21.487 1.00 54.40 N ATOM 1900 CA GLY B 557 25.438 10.552 -21.090 1.00 51.20 C ATOM 1901 C GLY B 557 25.573 10.174 -19.629 1.00 73.35 C ATOM 1902 O GLY B 557 24.703 10.489 -18.817 1.00 64.24 O ATOM 0 H GLY B 557 26.972 11.337 -22.281 1.00 54.40 H new ATOM 0 HA2 GLY B 557 24.423 10.901 -21.279 1.00 51.20 H new ATOM 0 HA3 GLY B 557 25.591 9.666 -21.707 1.00 51.20 H new ATOM 1906 N GLN B 558 26.665 9.494 -19.293 1.00 30.44 N ATOM 1907 CA GLN B 558 26.910 9.070 -17.920 1.00 71.33 C ATOM 1908 C GLN B 558 28.398 9.127 -17.589 1.00 54.22 C ATOM 1909 O GLN B 558 28.793 9.682 -16.564 1.00 65.12 O ATOM 1910 CB GLN B 558 26.379 7.653 -17.700 1.00 32.20 C ATOM 1911 CG GLN B 558 26.806 6.670 -18.777 1.00 10.50 C ATOM 1912 CD GLN B 558 26.092 5.336 -18.667 1.00 44.43 C ATOM 1913 OE1 GLN B 558 25.535 4.834 -19.644 1.00 32.15 O ATOM 1914 NE2 GLN B 558 26.104 4.756 -17.474 1.00 2.10 N ATOM 0 H GLN B 558 27.394 9.225 -19.954 1.00 30.44 H new ATOM 0 HA GLN B 558 26.383 9.755 -17.255 1.00 71.33 H new ATOM 0 HB2 GLN B 558 26.724 7.291 -16.732 1.00 32.20 H new ATOM 0 HB3 GLN B 558 25.290 7.684 -17.659 1.00 32.20 H new ATOM 0 HG2 GLN B 558 26.609 7.103 -19.758 1.00 10.50 H new ATOM 0 HG3 GLN B 558 27.882 6.508 -18.710 1.00 10.50 H new ATOM 0 HE21 GLN B 558 26.578 5.208 -16.692 1.00 2.10 H new ATOM 0 HE22 GLN B 558 25.639 3.858 -17.339 1.00 2.10 H new ATOM 1923 N GLU B 559 29.215 8.548 -18.462 1.00 54.14 N ATOM 1924 CA GLU B 559 30.659 8.533 -18.261 1.00 64.14 C ATOM 1925 C GLU B 559 31.378 8.037 -19.513 1.00 45.44 C ATOM 1926 O GLU B 559 30.744 7.690 -20.508 1.00 54.24 O ATOM 1927 CB GLU B 559 31.020 7.645 -17.068 1.00 42.30 C ATOM 1928 CG GLU B 559 30.819 6.162 -17.330 1.00 15.30 C ATOM 1929 CD GLU B 559 31.216 5.302 -16.146 1.00 15.40 C ATOM 1930 OE1 GLU B 559 32.237 5.616 -15.499 1.00 24.20 O ATOM 1931 OE2 GLU B 559 30.505 4.314 -15.866 1.00 61.43 O1- ATOM 0 H GLU B 559 28.902 8.083 -19.315 1.00 54.14 H new ATOM 0 HA GLU B 559 30.982 9.554 -18.057 1.00 64.14 H new ATOM 0 HB2 GLU B 559 32.061 7.820 -16.798 1.00 42.30 H new ATOM 0 HB3 GLU B 559 30.415 7.939 -16.211 1.00 42.30 H new ATOM 0 HG2 GLU B 559 29.772 5.978 -17.573 1.00 15.30 H new ATOM 0 HG3 GLU B 559 31.405 5.868 -18.201 1.00 15.30 H new ATOM 1938 N ALA B 560 32.705 8.010 -19.454 1.00 3.04 N ATOM 1939 CA ALA B 560 33.511 7.557 -20.581 1.00 50.04 C ATOM 1940 C ALA B 560 33.258 6.084 -20.880 1.00 31.25 C ATOM 1941 O ALA B 560 32.737 5.350 -20.038 1.00 10.24 O ATOM 1942 CB ALA B 560 34.988 7.795 -20.304 1.00 41.05 C ATOM 0 H ALA B 560 33.245 8.297 -18.638 1.00 3.04 H new ATOM 0 HA ALA B 560 33.220 8.134 -21.459 1.00 50.04 H new ATOM 0 HB1 ALA B 560 35.578 7.452 -21.154 1.00 41.05 H new ATOM 0 HB2 ALA B 560 35.162 8.860 -20.148 1.00 41.05 H new ATOM 0 HB3 ALA B 560 35.284 7.244 -19.411 1.00 41.05 H new ATOM 1948 N ILE B 561 33.628 5.656 -22.082 1.00 73.03 N ATOM 1949 CA ILE B 561 33.441 4.269 -22.491 1.00 2.23 C ATOM 1950 C ILE B 561 34.480 3.855 -23.526 1.00 30.44 C ATOM 1951 O ILE B 561 34.733 4.577 -24.492 1.00 42.35 O ATOM 1952 CB ILE B 561 32.034 4.039 -23.073 1.00 62.24 C ATOM 1953 CG1 ILE B 561 31.705 5.114 -24.111 1.00 63.44 C ATOM 1954 CG2 ILE B 561 30.994 4.033 -21.962 1.00 51.43 C ATOM 1955 CD1 ILE B 561 30.382 4.894 -24.811 1.00 63.22 C ATOM 0 H ILE B 561 34.059 6.250 -22.790 1.00 73.03 H new ATOM 0 HA ILE B 561 33.560 3.658 -21.596 1.00 2.23 H new ATOM 0 HB ILE B 561 32.016 3.067 -23.566 1.00 62.24 H new ATOM 0 HG12 ILE B 561 31.690 6.088 -23.621 1.00 63.44 H new ATOM 0 HG13 ILE B 561 32.500 5.144 -24.856 1.00 63.44 H new ATOM 0 HG21 ILE B 561 30.005 3.869 -22.390 1.00 51.43 H new ATOM 0 HG22 ILE B 561 31.220 3.234 -21.256 1.00 51.43 H new ATOM 0 HG23 ILE B 561 31.011 4.991 -21.443 1.00 51.43 H new ATOM 0 HD11 ILE B 561 30.215 5.694 -25.532 1.00 63.22 H new ATOM 0 HD12 ILE B 561 30.400 3.935 -25.330 1.00 63.22 H new ATOM 0 HD13 ILE B 561 29.577 4.894 -24.076 1.00 63.22 H new ATOM 1967 N LYS B 562 35.082 2.689 -23.319 1.00 34.53 N ATOM 1968 CA LYS B 562 36.094 2.176 -24.236 1.00 5.33 C ATOM 1969 C LYS B 562 35.744 0.765 -24.698 1.00 3.44 C ATOM 1970 O LYS B 562 35.371 0.554 -25.853 1.00 74.43 O ATOM 1971 CB LYS B 562 37.468 2.178 -23.563 1.00 55.54 C ATOM 1972 CG LYS B 562 38.620 2.384 -24.532 1.00 23.25 C ATOM 1973 CD LYS B 562 39.915 1.805 -23.989 1.00 61.12 C ATOM 1974 CE LYS B 562 40.662 2.817 -23.133 1.00 62.12 C ATOM 1975 NZ LYS B 562 40.095 2.908 -21.760 1.00 35.51 N1+ ATOM 0 H LYS B 562 34.887 2.081 -22.524 1.00 34.53 H new ATOM 0 HA LYS B 562 36.123 2.828 -25.109 1.00 5.33 H new ATOM 0 HB2 LYS B 562 37.493 2.965 -22.809 1.00 55.54 H new ATOM 0 HB3 LYS B 562 37.609 1.232 -23.040 1.00 55.54 H new ATOM 0 HG2 LYS B 562 38.382 1.914 -25.486 1.00 23.25 H new ATOM 0 HG3 LYS B 562 38.749 3.449 -24.724 1.00 23.25 H new ATOM 0 HD2 LYS B 562 39.697 0.916 -23.397 1.00 61.12 H new ATOM 0 HD3 LYS B 562 40.549 1.489 -24.817 1.00 61.12 H new ATOM 0 HE2 LYS B 562 41.714 2.536 -23.074 1.00 62.12 H new ATOM 0 HE3 LYS B 562 40.620 3.797 -23.609 1.00 62.12 H new ATOM 0 HZ1 LYS B 562 40.827 3.246 -21.104 1.00 35.51 H new ATOM 0 HZ2 LYS B 562 39.295 3.572 -21.758 1.00 35.51 H new ATOM 0 HZ3 LYS B 562 39.766 1.969 -21.457 1.00 35.51 H new TER 1989 LYS B 562