USER MOD reduce.3.24.130724 H: found=0, std=0, add=994, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 994 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 59 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 103 THR OG1 : rot 88:sc= 0.228 USER MOD Set 2.1: A 42 ASN : amide:sc= 0.942 K(o=1.3,f=-4.1) USER MOD Set 2.2: A 49 LYS NZ :NH3+ -116:sc= 0.329 (180deg=-0.641) USER MOD Set 3.1: A 45 MET CE :methyl 164:sc= -0.539 (180deg=-1.41) USER MOD Set 3.2: A 90 TYR OH : rot -107:sc= 1.25 USER MOD Set 4.1: A 13 THR OG1 : rot -72:sc= 0.244 USER MOD Set 4.2: A 18 THR OG1 : rot 180:sc= 0.237 USER MOD Set 5.1: A 4 LYS NZ :NH3+ -164:sc= 1.15 (180deg=0) USER MOD Set 5.2: A 65 SER OG : rot -86:sc= 1.39 USER MOD Single : A 1 MET CE :methyl -166:sc= -0.042 (180deg=-0.316) USER MOD Single : A 1 MET N :NH3+ -171:sc= 0 (180deg=-0.0825) USER MOD Single : A 2 SER OG : rot -10:sc= 0.414 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -0.365 K(o=-0.37,f=-2.8!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -0.292 K(o=-0.29,f=-2.9!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= -0.0525 USER MOD Single : A 22 THR OG1 : rot 180:sc= -1.09 USER MOD Single : A 23 TYR OH : rot 150:sc= -0.279 USER MOD Single : A 24 GLN : amide:sc= -0.33 X(o=-0.33,f=-0.37) USER MOD Single : A 26 TYR OH : rot -53:sc= 0.005 USER MOD Single : A 34 LYS NZ :NH3+ -141:sc= -0.997 (180deg=-3.07!) USER MOD Single : A 36 LYS NZ :NH3+ -160:sc= 0.494 (180deg=0.15) USER MOD Single : A 38 LYS NZ :NH3+ -164:sc= 0.386 (180deg=0.264) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0485) USER MOD Single : A 54 LYS NZ :NH3+ -150:sc= -0.422 (180deg=-2.12!) USER MOD Single : A 63 LYS NZ :NH3+ -170:sc= 0.716 (180deg=0.639) USER MOD Single : A 64 HIS : no HD1:sc= -0.374 X(o=-0.37,f=-0.2) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 173:sc= 0.425 (180deg=0.383) USER MOD Single : A 75 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00339) USER MOD Single : A 76 LYS NZ :NH3+ -157:sc= 0.319 (180deg=0.00133) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 83 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00699) USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0.0015 USER MOD Single : A 94 ASN : amide:sc= 1.09 K(o=1.1,f=-2.7!) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= -0.199 USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 HIS : no HD1:sc= -0.103 X(o=-0.1,f=-0.1) USER MOD Single : A 116 HIS : no HD1:sc= 0.0451 X(o=0.045,f=-0.21) USER MOD Single : A 117 HIS : no HD1:sc=-0.00194 X(o=-0.0019,f=-0.0019) USER MOD Single : A 118 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 119 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 120 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 23.977 -5.207 -2.690 1.00 51.15 N ATOM 2 CA MET A 1 22.772 -5.321 -1.842 1.00 51.20 C ATOM 3 C MET A 1 21.524 -5.009 -2.681 1.00 54.22 C ATOM 4 O MET A 1 21.220 -3.840 -2.955 1.00 1.21 O ATOM 5 CB MET A 1 22.873 -4.387 -0.604 1.00 24.22 C ATOM 6 CG MET A 1 24.038 -4.712 0.347 1.00 72.23 C ATOM 7 SD MET A 1 23.887 -6.344 1.119 1.00 14.13 S ATOM 8 CE MET A 1 22.403 -6.156 2.117 1.00 42.24 C ATOM 0 H1 MET A 1 24.803 -5.564 -2.169 1.00 51.15 H new ATOM 0 H2 MET A 1 23.846 -5.767 -3.556 1.00 51.15 H new ATOM 0 H3 MET A 1 24.131 -4.210 -2.942 1.00 51.15 H new ATOM 0 HA MET A 1 22.694 -6.342 -1.467 1.00 51.20 H new ATOM 0 HB2 MET A 1 22.978 -3.358 -0.948 1.00 24.22 H new ATOM 0 HB3 MET A 1 21.939 -4.442 -0.046 1.00 24.22 H new ATOM 0 HG2 MET A 1 24.976 -4.663 -0.206 1.00 72.23 H new ATOM 0 HG3 MET A 1 24.087 -3.951 1.126 1.00 72.23 H new ATOM 0 HE1 MET A 1 22.334 -6.982 2.825 1.00 42.24 H new ATOM 0 HE2 MET A 1 22.448 -5.213 2.662 1.00 42.24 H new ATOM 0 HE3 MET A 1 21.526 -6.159 1.469 1.00 42.24 H new ATOM 20 N SER A 2 20.839 -6.078 -3.106 1.00 42.44 N ATOM 21 CA SER A 2 19.607 -6.012 -3.888 1.00 72.01 C ATOM 22 C SER A 2 18.818 -7.303 -3.609 1.00 45.23 C ATOM 23 O SER A 2 18.807 -8.244 -4.411 1.00 73.44 O ATOM 24 CB SER A 2 19.914 -5.821 -5.403 1.00 42.14 C ATOM 25 OG SER A 2 18.729 -5.609 -6.161 1.00 41.34 O ATOM 0 H SER A 2 21.137 -7.033 -2.909 1.00 42.44 H new ATOM 0 HA SER A 2 19.009 -5.148 -3.598 1.00 72.01 H new ATOM 0 HB2 SER A 2 20.585 -4.972 -5.533 1.00 42.14 H new ATOM 0 HB3 SER A 2 20.435 -6.700 -5.782 1.00 42.14 H new ATOM 0 HG SER A 2 17.945 -5.783 -5.599 1.00 41.34 H new ATOM 31 N GLY A 3 18.222 -7.343 -2.416 1.00 51.12 N ATOM 32 CA GLY A 3 17.406 -8.460 -1.954 1.00 52.15 C ATOM 33 C GLY A 3 16.629 -8.031 -0.725 1.00 73.10 C ATOM 34 O GLY A 3 16.844 -8.545 0.376 1.00 53.32 O ATOM 0 H GLY A 3 18.296 -6.587 -1.735 1.00 51.12 H new ATOM 0 HA2 GLY A 3 16.721 -8.776 -2.741 1.00 52.15 H new ATOM 0 HA3 GLY A 3 18.039 -9.316 -1.719 1.00 52.15 H new ATOM 38 N LYS A 4 15.737 -7.051 -0.932 1.00 62.20 N ATOM 39 CA LYS A 4 15.100 -6.289 0.155 1.00 64.32 C ATOM 40 C LYS A 4 13.784 -6.951 0.609 1.00 53.25 C ATOM 41 O LYS A 4 13.078 -7.561 -0.198 1.00 3.35 O ATOM 42 CB LYS A 4 14.843 -4.821 -0.320 1.00 12.24 C ATOM 43 CG LYS A 4 14.853 -3.771 0.816 1.00 44.42 C ATOM 44 CD LYS A 4 16.255 -3.655 1.464 1.00 14.15 C ATOM 45 CE LYS A 4 16.346 -2.572 2.537 1.00 20.34 C ATOM 46 NZ LYS A 4 17.722 -2.488 3.100 1.00 40.11 N ATOM 0 H LYS A 4 15.435 -6.763 -1.863 1.00 62.20 H new ATOM 0 HA LYS A 4 15.772 -6.279 1.013 1.00 64.32 H new ATOM 0 HB2 LYS A 4 15.602 -4.551 -1.054 1.00 12.24 H new ATOM 0 HB3 LYS A 4 13.879 -4.780 -0.828 1.00 12.24 H new ATOM 0 HG2 LYS A 4 14.552 -2.801 0.420 1.00 44.42 H new ATOM 0 HG3 LYS A 4 14.121 -4.047 1.575 1.00 44.42 H new ATOM 0 HD2 LYS A 4 16.522 -4.615 1.905 1.00 14.15 H new ATOM 0 HD3 LYS A 4 16.989 -3.446 0.686 1.00 14.15 H new ATOM 0 HE2 LYS A 4 16.065 -1.609 2.111 1.00 20.34 H new ATOM 0 HE3 LYS A 4 15.636 -2.786 3.335 1.00 20.34 H new ATOM 0 HZ1 LYS A 4 17.700 -1.954 3.992 1.00 40.11 H new ATOM 0 HZ2 LYS A 4 18.083 -3.447 3.279 1.00 40.11 H new ATOM 0 HZ3 LYS A 4 18.345 -2.004 2.422 1.00 40.11 H new ATOM 60 N LYS A 5 13.461 -6.808 1.906 1.00 34.52 N ATOM 61 CA LYS A 5 12.192 -7.278 2.483 1.00 51.42 C ATOM 62 C LYS A 5 11.522 -6.117 3.236 1.00 3.14 C ATOM 63 O LYS A 5 11.996 -5.703 4.300 1.00 41.42 O ATOM 64 CB LYS A 5 12.428 -8.455 3.459 1.00 22.23 C ATOM 65 CG LYS A 5 11.124 -9.086 4.023 1.00 22.42 C ATOM 66 CD LYS A 5 11.389 -10.078 5.178 1.00 42.43 C ATOM 67 CE LYS A 5 12.072 -9.410 6.389 1.00 14.12 C ATOM 68 NZ LYS A 5 12.369 -10.374 7.485 1.00 24.23 N ATOM 0 H LYS A 5 14.076 -6.361 2.586 1.00 34.52 H new ATOM 0 HA LYS A 5 11.549 -7.626 1.675 1.00 51.42 H new ATOM 0 HB2 LYS A 5 13.000 -9.228 2.946 1.00 22.23 H new ATOM 0 HB3 LYS A 5 13.039 -8.105 4.291 1.00 22.23 H new ATOM 0 HG2 LYS A 5 10.465 -8.293 4.376 1.00 22.42 H new ATOM 0 HG3 LYS A 5 10.599 -9.603 3.220 1.00 22.42 H new ATOM 0 HD2 LYS A 5 10.445 -10.520 5.496 1.00 42.43 H new ATOM 0 HD3 LYS A 5 12.016 -10.893 4.816 1.00 42.43 H new ATOM 0 HE2 LYS A 5 13.000 -8.939 6.064 1.00 14.12 H new ATOM 0 HE3 LYS A 5 11.429 -8.617 6.772 1.00 14.12 H new ATOM 0 HZ1 LYS A 5 12.827 -9.873 8.273 1.00 24.23 H new ATOM 0 HZ2 LYS A 5 11.483 -10.806 7.817 1.00 24.23 H new ATOM 0 HZ3 LYS A 5 13.005 -11.117 7.131 1.00 24.23 H new ATOM 82 N VAL A 6 10.452 -5.582 2.662 1.00 41.42 N ATOM 83 CA VAL A 6 9.614 -4.561 3.319 1.00 44.33 C ATOM 84 C VAL A 6 8.355 -5.236 3.885 1.00 53.12 C ATOM 85 O VAL A 6 7.825 -6.182 3.288 1.00 32.24 O ATOM 86 CB VAL A 6 9.220 -3.401 2.332 1.00 34.12 C ATOM 87 CG1 VAL A 6 8.577 -3.958 1.049 1.00 33.24 C ATOM 88 CG2 VAL A 6 8.298 -2.369 3.011 1.00 52.21 C ATOM 0 H VAL A 6 10.132 -5.837 1.728 1.00 41.42 H new ATOM 0 HA VAL A 6 10.189 -4.109 4.127 1.00 44.33 H new ATOM 0 HB VAL A 6 10.138 -2.885 2.051 1.00 34.12 H new ATOM 0 HG11 VAL A 6 8.315 -3.134 0.386 1.00 33.24 H new ATOM 0 HG12 VAL A 6 9.283 -4.619 0.545 1.00 33.24 H new ATOM 0 HG13 VAL A 6 7.677 -4.517 1.306 1.00 33.24 H new ATOM 0 HG21 VAL A 6 8.046 -1.582 2.300 1.00 52.21 H new ATOM 0 HG22 VAL A 6 7.385 -2.861 3.346 1.00 52.21 H new ATOM 0 HG23 VAL A 6 8.810 -1.932 3.869 1.00 52.21 H new ATOM 98 N GLU A 7 7.892 -4.761 5.045 1.00 23.24 N ATOM 99 CA GLU A 7 6.676 -5.267 5.686 1.00 43.34 C ATOM 100 C GLU A 7 5.605 -4.164 5.688 1.00 13.20 C ATOM 101 O GLU A 7 5.765 -3.114 6.320 1.00 71.42 O ATOM 102 CB GLU A 7 7.009 -5.797 7.098 1.00 52.11 C ATOM 103 CG GLU A 7 7.966 -7.012 7.077 1.00 11.13 C ATOM 104 CD GLU A 7 8.162 -7.652 8.453 1.00 21.11 C ATOM 105 OE1 GLU A 7 7.352 -8.521 8.833 1.00 4.02 O ATOM 106 OE2 GLU A 7 9.114 -7.281 9.166 1.00 1.20 O ATOM 0 H GLU A 7 8.351 -4.014 5.566 1.00 23.24 H new ATOM 0 HA GLU A 7 6.268 -6.109 5.127 1.00 43.34 H new ATOM 0 HB2 GLU A 7 7.460 -4.996 7.684 1.00 52.11 H new ATOM 0 HB3 GLU A 7 6.084 -6.078 7.602 1.00 52.11 H new ATOM 0 HG2 GLU A 7 7.576 -7.761 6.388 1.00 11.13 H new ATOM 0 HG3 GLU A 7 8.935 -6.696 6.690 1.00 11.13 H new ATOM 113 N VAL A 8 4.517 -4.433 4.951 1.00 73.32 N ATOM 114 CA VAL A 8 3.471 -3.456 4.603 1.00 32.10 C ATOM 115 C VAL A 8 2.206 -3.718 5.437 1.00 42.22 C ATOM 116 O VAL A 8 1.580 -4.774 5.306 1.00 25.34 O ATOM 117 CB VAL A 8 3.163 -3.544 3.054 1.00 5.01 C ATOM 118 CG1 VAL A 8 1.969 -2.656 2.632 1.00 63.41 C ATOM 119 CG2 VAL A 8 4.429 -3.181 2.242 1.00 54.10 C ATOM 0 H VAL A 8 4.334 -5.361 4.570 1.00 73.32 H new ATOM 0 HA VAL A 8 3.819 -2.448 4.830 1.00 32.10 H new ATOM 0 HB VAL A 8 2.876 -4.573 2.838 1.00 5.01 H new ATOM 0 HG11 VAL A 8 1.803 -2.756 1.559 1.00 63.41 H new ATOM 0 HG12 VAL A 8 1.074 -2.971 3.169 1.00 63.41 H new ATOM 0 HG13 VAL A 8 2.188 -1.615 2.870 1.00 63.41 H new ATOM 0 HG21 VAL A 8 4.208 -3.244 1.176 1.00 54.10 H new ATOM 0 HG22 VAL A 8 4.741 -2.166 2.489 1.00 54.10 H new ATOM 0 HG23 VAL A 8 5.231 -3.877 2.488 1.00 54.10 H new ATOM 129 N GLN A 9 1.842 -2.754 6.296 1.00 41.44 N ATOM 130 CA GLN A 9 0.694 -2.881 7.208 1.00 1.11 C ATOM 131 C GLN A 9 -0.517 -2.188 6.569 1.00 62.33 C ATOM 132 O GLN A 9 -0.626 -0.966 6.618 1.00 23.35 O ATOM 133 CB GLN A 9 1.050 -2.226 8.577 1.00 33.43 C ATOM 134 CG GLN A 9 2.349 -2.767 9.205 1.00 60.55 C ATOM 135 CD GLN A 9 2.834 -1.952 10.402 1.00 22.51 C ATOM 136 OE1 GLN A 9 2.462 -2.212 11.546 1.00 3.14 O ATOM 137 NE2 GLN A 9 3.674 -0.955 10.149 1.00 32.04 N ATOM 0 H GLN A 9 2.335 -1.865 6.378 1.00 41.44 H new ATOM 0 HA GLN A 9 0.454 -3.930 7.381 1.00 1.11 H new ATOM 0 HB2 GLN A 9 1.145 -1.149 8.440 1.00 33.43 H new ATOM 0 HB3 GLN A 9 0.226 -2.388 9.272 1.00 33.43 H new ATOM 0 HG2 GLN A 9 2.189 -3.798 9.519 1.00 60.55 H new ATOM 0 HG3 GLN A 9 3.131 -2.783 8.446 1.00 60.55 H new ATOM 0 HE21 GLN A 9 3.964 -0.764 9.190 1.00 32.04 H new ATOM 0 HE22 GLN A 9 4.029 -0.381 10.914 1.00 32.04 H new ATOM 146 N VAL A 10 -1.413 -2.974 5.950 1.00 61.41 N ATOM 147 CA VAL A 10 -2.596 -2.439 5.249 1.00 42.14 C ATOM 148 C VAL A 10 -3.801 -2.476 6.198 1.00 42.13 C ATOM 149 O VAL A 10 -4.284 -3.559 6.531 1.00 23.14 O ATOM 150 CB VAL A 10 -2.912 -3.248 3.926 1.00 31.52 C ATOM 151 CG1 VAL A 10 -4.163 -2.688 3.198 1.00 61.20 C ATOM 152 CG2 VAL A 10 -1.683 -3.265 2.984 1.00 43.44 C ATOM 0 H VAL A 10 -1.341 -3.991 5.920 1.00 61.41 H new ATOM 0 HA VAL A 10 -2.386 -1.411 4.954 1.00 42.14 H new ATOM 0 HB VAL A 10 -3.135 -4.275 4.214 1.00 31.52 H new ATOM 0 HG11 VAL A 10 -4.349 -3.269 2.294 1.00 61.20 H new ATOM 0 HG12 VAL A 10 -5.028 -2.756 3.857 1.00 61.20 H new ATOM 0 HG13 VAL A 10 -3.992 -1.645 2.930 1.00 61.20 H new ATOM 0 HG21 VAL A 10 -1.924 -3.827 2.082 1.00 43.44 H new ATOM 0 HG22 VAL A 10 -1.417 -2.243 2.715 1.00 43.44 H new ATOM 0 HG23 VAL A 10 -0.842 -3.737 3.492 1.00 43.44 H new ATOM 162 N LYS A 11 -4.252 -1.295 6.660 1.00 45.44 N ATOM 163 CA LYS A 11 -5.427 -1.165 7.538 1.00 72.30 C ATOM 164 C LYS A 11 -6.561 -0.502 6.738 1.00 61.11 C ATOM 165 O LYS A 11 -6.520 0.698 6.498 1.00 20.43 O ATOM 166 CB LYS A 11 -5.072 -0.310 8.790 1.00 74.14 C ATOM 167 CG LYS A 11 -6.202 -0.240 9.843 1.00 73.43 C ATOM 168 CD LYS A 11 -5.965 0.810 10.953 1.00 32.10 C ATOM 169 CE LYS A 11 -6.017 2.256 10.423 1.00 14.35 C ATOM 170 NZ LYS A 11 -5.825 3.254 11.509 1.00 14.14 N ATOM 0 H LYS A 11 -3.811 -0.404 6.434 1.00 45.44 H new ATOM 0 HA LYS A 11 -5.745 -2.149 7.883 1.00 72.30 H new ATOM 0 HB2 LYS A 11 -4.178 -0.723 9.258 1.00 74.14 H new ATOM 0 HB3 LYS A 11 -4.825 0.702 8.469 1.00 74.14 H new ATOM 0 HG2 LYS A 11 -7.141 -0.014 9.338 1.00 73.43 H new ATOM 0 HG3 LYS A 11 -6.316 -1.221 10.304 1.00 73.43 H new ATOM 0 HD2 LYS A 11 -6.717 0.685 11.732 1.00 32.10 H new ATOM 0 HD3 LYS A 11 -4.994 0.631 11.415 1.00 32.10 H new ATOM 0 HE2 LYS A 11 -5.246 2.392 9.665 1.00 14.35 H new ATOM 0 HE3 LYS A 11 -6.977 2.430 9.936 1.00 14.35 H new ATOM 0 HZ1 LYS A 11 -5.867 4.214 11.110 1.00 14.14 H new ATOM 0 HZ2 LYS A 11 -6.575 3.142 12.220 1.00 14.14 H new ATOM 0 HZ3 LYS A 11 -4.898 3.106 11.957 1.00 14.14 H new ATOM 184 N ILE A 12 -7.569 -1.281 6.330 1.00 65.34 N ATOM 185 CA ILE A 12 -8.660 -0.795 5.457 1.00 52.04 C ATOM 186 C ILE A 12 -10.024 -0.897 6.168 1.00 34.34 C ATOM 187 O ILE A 12 -10.417 -1.965 6.625 1.00 70.14 O ATOM 188 CB ILE A 12 -8.682 -1.566 4.076 1.00 2.13 C ATOM 189 CG1 ILE A 12 -9.900 -1.119 3.199 1.00 43.15 C ATOM 190 CG2 ILE A 12 -8.658 -3.107 4.264 1.00 13.33 C ATOM 191 CD1 ILE A 12 -9.930 -1.713 1.804 1.00 44.14 C ATOM 0 H ILE A 12 -7.658 -2.263 6.591 1.00 65.34 H new ATOM 0 HA ILE A 12 -8.468 0.257 5.244 1.00 52.04 H new ATOM 0 HB ILE A 12 -7.768 -1.298 3.546 1.00 2.13 H new ATOM 0 HG12 ILE A 12 -10.821 -1.392 3.715 1.00 43.15 H new ATOM 0 HG13 ILE A 12 -9.891 -0.032 3.116 1.00 43.15 H new ATOM 0 HG21 ILE A 12 -8.674 -3.593 3.288 1.00 13.33 H new ATOM 0 HG22 ILE A 12 -7.752 -3.394 4.797 1.00 13.33 H new ATOM 0 HG23 ILE A 12 -9.531 -3.417 4.838 1.00 13.33 H new ATOM 0 HD11 ILE A 12 -10.808 -1.347 1.272 1.00 44.14 H new ATOM 0 HD12 ILE A 12 -9.030 -1.420 1.264 1.00 44.14 H new ATOM 0 HD13 ILE A 12 -9.974 -2.800 1.872 1.00 44.14 H new ATOM 203 N THR A 13 -10.734 0.239 6.268 1.00 63.45 N ATOM 204 CA THR A 13 -12.084 0.297 6.843 1.00 51.02 C ATOM 205 C THR A 13 -13.131 0.227 5.706 1.00 61.43 C ATOM 206 O THR A 13 -13.243 1.154 4.893 1.00 22.43 O ATOM 207 CB THR A 13 -12.264 1.598 7.696 1.00 12.11 C ATOM 208 OG1 THR A 13 -11.217 1.667 8.683 1.00 41.31 O ATOM 209 CG2 THR A 13 -13.631 1.645 8.409 1.00 41.23 C ATOM 0 H THR A 13 -10.385 1.144 5.951 1.00 63.45 H new ATOM 0 HA THR A 13 -12.230 -0.555 7.507 1.00 51.02 H new ATOM 0 HB THR A 13 -12.214 2.448 7.015 1.00 12.11 H new ATOM 0 HG1 THR A 13 -11.382 1.000 9.382 1.00 41.31 H new ATOM 0 HG21 THR A 13 -13.708 2.566 8.987 1.00 41.23 H new ATOM 0 HG22 THR A 13 -14.429 1.614 7.668 1.00 41.23 H new ATOM 0 HG23 THR A 13 -13.723 0.788 9.077 1.00 41.23 H new ATOM 217 N CYS A 14 -13.857 -0.904 5.649 1.00 24.11 N ATOM 218 CA CYS A 14 -14.911 -1.172 4.650 1.00 40.05 C ATOM 219 C CYS A 14 -16.038 -2.007 5.279 1.00 72.25 C ATOM 220 O CYS A 14 -15.764 -2.997 5.975 1.00 75.41 O ATOM 221 CB CYS A 14 -14.328 -1.928 3.438 1.00 3.54 C ATOM 222 SG CYS A 14 -15.583 -2.638 2.309 1.00 14.54 S ATOM 0 H CYS A 14 -13.726 -1.672 6.307 1.00 24.11 H new ATOM 0 HA CYS A 14 -15.313 -0.216 4.313 1.00 40.05 H new ATOM 0 HB2 CYS A 14 -13.693 -1.246 2.872 1.00 3.54 H new ATOM 0 HB3 CYS A 14 -13.688 -2.732 3.801 1.00 3.54 H new ATOM 227 N ASN A 15 -17.302 -1.574 5.048 1.00 73.54 N ATOM 228 CA ASN A 15 -18.531 -2.306 5.457 1.00 71.44 C ATOM 229 C ASN A 15 -18.599 -2.433 7.002 1.00 33.15 C ATOM 230 O ASN A 15 -19.067 -3.443 7.551 1.00 60.33 O ATOM 231 CB ASN A 15 -18.598 -3.696 4.727 1.00 41.21 C ATOM 232 CG ASN A 15 -20.008 -4.308 4.546 1.00 63.11 C ATOM 233 OD1 ASN A 15 -20.267 -4.985 3.545 1.00 53.13 O ATOM 234 ND2 ASN A 15 -20.923 -4.120 5.490 1.00 25.52 N ATOM 0 H ASN A 15 -17.501 -0.697 4.567 1.00 73.54 H new ATOM 0 HA ASN A 15 -19.412 -1.741 5.152 1.00 71.44 H new ATOM 0 HB2 ASN A 15 -18.143 -3.588 3.742 1.00 41.21 H new ATOM 0 HB3 ASN A 15 -17.986 -4.405 5.285 1.00 41.21 H new ATOM 0 HD21 ASN A 15 -21.849 -4.536 5.393 1.00 25.52 H new ATOM 0 HD22 ASN A 15 -20.700 -3.560 6.312 1.00 25.52 H new ATOM 241 N GLY A 16 -18.112 -1.377 7.689 1.00 21.02 N ATOM 242 CA GLY A 16 -18.148 -1.288 9.154 1.00 33.44 C ATOM 243 C GLY A 16 -17.158 -2.206 9.861 1.00 34.02 C ATOM 244 O GLY A 16 -17.262 -2.411 11.074 1.00 60.14 O ATOM 0 H GLY A 16 -17.685 -0.567 7.239 1.00 21.02 H new ATOM 0 HA2 GLY A 16 -17.946 -0.258 9.449 1.00 33.44 H new ATOM 0 HA3 GLY A 16 -19.155 -1.526 9.496 1.00 33.44 H new ATOM 248 N LYS A 17 -16.217 -2.785 9.101 1.00 61.24 N ATOM 249 CA LYS A 17 -15.128 -3.612 9.644 1.00 15.13 C ATOM 250 C LYS A 17 -13.777 -3.067 9.173 1.00 14.02 C ATOM 251 O LYS A 17 -13.654 -2.595 8.044 1.00 42.15 O ATOM 252 CB LYS A 17 -15.317 -5.104 9.224 1.00 64.11 C ATOM 253 CG LYS A 17 -16.495 -5.866 9.912 1.00 31.42 C ATOM 254 CD LYS A 17 -16.132 -6.506 11.289 1.00 14.01 C ATOM 255 CE LYS A 17 -15.875 -5.499 12.429 1.00 53.04 C ATOM 256 NZ LYS A 17 -15.381 -6.164 13.666 1.00 21.21 N ATOM 0 H LYS A 17 -16.190 -2.692 8.086 1.00 61.24 H new ATOM 0 HA LYS A 17 -15.152 -3.569 10.733 1.00 15.13 H new ATOM 0 HB2 LYS A 17 -15.468 -5.141 8.145 1.00 64.11 H new ATOM 0 HB3 LYS A 17 -14.392 -5.640 9.435 1.00 64.11 H new ATOM 0 HG2 LYS A 17 -17.325 -5.174 10.054 1.00 31.42 H new ATOM 0 HG3 LYS A 17 -16.845 -6.651 9.241 1.00 31.42 H new ATOM 0 HD2 LYS A 17 -16.942 -7.171 11.588 1.00 14.01 H new ATOM 0 HD3 LYS A 17 -15.243 -7.123 11.162 1.00 14.01 H new ATOM 0 HE2 LYS A 17 -15.145 -4.759 12.100 1.00 53.04 H new ATOM 0 HE3 LYS A 17 -16.797 -4.961 12.651 1.00 53.04 H new ATOM 0 HZ1 LYS A 17 -15.222 -5.449 14.405 1.00 21.21 H new ATOM 0 HZ2 LYS A 17 -16.088 -6.852 13.996 1.00 21.21 H new ATOM 0 HZ3 LYS A 17 -14.488 -6.656 13.463 1.00 21.21 H new ATOM 270 N THR A 18 -12.779 -3.113 10.062 1.00 53.11 N ATOM 271 CA THR A 18 -11.416 -2.656 9.772 1.00 35.23 C ATOM 272 C THR A 18 -10.477 -3.877 9.723 1.00 42.22 C ATOM 273 O THR A 18 -10.328 -4.607 10.712 1.00 32.11 O ATOM 274 CB THR A 18 -10.950 -1.610 10.835 1.00 61.44 C ATOM 275 OG1 THR A 18 -11.857 -0.491 10.822 1.00 1.55 O ATOM 276 CG2 THR A 18 -9.527 -1.096 10.568 1.00 32.41 C ATOM 0 H THR A 18 -12.895 -3.471 11.010 1.00 53.11 H new ATOM 0 HA THR A 18 -11.391 -2.158 8.803 1.00 35.23 H new ATOM 0 HB THR A 18 -10.948 -2.107 11.805 1.00 61.44 H new ATOM 0 HG1 THR A 18 -11.572 0.169 11.488 1.00 1.55 H new ATOM 0 HG21 THR A 18 -9.252 -0.372 11.335 1.00 32.41 H new ATOM 0 HG22 THR A 18 -8.828 -1.932 10.591 1.00 32.41 H new ATOM 0 HG23 THR A 18 -9.490 -0.619 9.589 1.00 32.41 H new ATOM 284 N TYR A 19 -9.865 -4.092 8.554 1.00 10.20 N ATOM 285 CA TYR A 19 -9.054 -5.278 8.244 1.00 54.40 C ATOM 286 C TYR A 19 -7.583 -4.849 8.202 1.00 34.11 C ATOM 287 O TYR A 19 -7.188 -4.113 7.288 1.00 43.32 O ATOM 288 CB TYR A 19 -9.470 -5.862 6.862 1.00 52.24 C ATOM 289 CG TYR A 19 -10.984 -5.988 6.629 1.00 40.10 C ATOM 290 CD1 TYR A 19 -11.736 -4.899 6.164 1.00 71.11 C ATOM 291 CD2 TYR A 19 -11.662 -7.190 6.850 1.00 55.31 C ATOM 292 CE1 TYR A 19 -13.094 -4.997 5.953 1.00 73.42 C ATOM 293 CE2 TYR A 19 -13.030 -7.289 6.636 1.00 55.42 C ATOM 294 CZ TYR A 19 -13.737 -6.191 6.174 1.00 50.13 C ATOM 295 OH TYR A 19 -15.099 -6.278 5.959 1.00 12.13 O ATOM 0 H TYR A 19 -9.920 -3.432 7.778 1.00 10.20 H new ATOM 0 HA TYR A 19 -9.206 -6.045 9.003 1.00 54.40 H new ATOM 0 HB2 TYR A 19 -9.050 -5.231 6.079 1.00 52.24 H new ATOM 0 HB3 TYR A 19 -9.019 -6.848 6.753 1.00 52.24 H new ATOM 0 HD1 TYR A 19 -11.238 -3.961 5.967 1.00 71.11 H new ATOM 0 HD2 TYR A 19 -11.113 -8.055 7.192 1.00 55.31 H new ATOM 0 HE1 TYR A 19 -13.652 -4.137 5.614 1.00 73.42 H new ATOM 0 HE2 TYR A 19 -13.542 -8.220 6.829 1.00 55.42 H new ATOM 0 HH TYR A 19 -15.404 -7.188 6.159 1.00 12.13 H new ATOM 305 N GLU A 20 -6.779 -5.271 9.191 1.00 43.42 N ATOM 306 CA GLU A 20 -5.352 -4.898 9.266 1.00 34.23 C ATOM 307 C GLU A 20 -4.456 -6.134 9.415 1.00 44.23 C ATOM 308 O GLU A 20 -4.824 -7.100 10.093 1.00 32.41 O ATOM 309 CB GLU A 20 -5.132 -3.844 10.386 1.00 64.15 C ATOM 310 CG GLU A 20 -5.659 -4.198 11.800 1.00 0.15 C ATOM 311 CD GLU A 20 -4.776 -5.180 12.590 1.00 54.24 C ATOM 312 OE1 GLU A 20 -3.563 -4.923 12.711 1.00 63.24 O ATOM 313 OE2 GLU A 20 -5.284 -6.217 13.076 1.00 11.43 O ATOM 0 H GLU A 20 -7.092 -5.873 9.953 1.00 43.42 H new ATOM 0 HA GLU A 20 -5.057 -4.432 8.326 1.00 34.23 H new ATOM 0 HB2 GLU A 20 -4.062 -3.649 10.462 1.00 64.15 H new ATOM 0 HB3 GLU A 20 -5.604 -2.913 10.072 1.00 64.15 H new ATOM 0 HG2 GLU A 20 -5.760 -3.278 12.376 1.00 0.15 H new ATOM 0 HG3 GLU A 20 -6.657 -4.625 11.704 1.00 0.15 H new ATOM 320 N ARG A 21 -3.292 -6.086 8.742 1.00 21.21 N ATOM 321 CA ARG A 21 -2.283 -7.156 8.772 1.00 12.44 C ATOM 322 C ARG A 21 -0.976 -6.649 8.139 1.00 33.42 C ATOM 323 O ARG A 21 -1.002 -5.876 7.174 1.00 3.23 O ATOM 324 CB ARG A 21 -2.781 -8.430 8.019 1.00 45.33 C ATOM 325 CG ARG A 21 -1.742 -9.577 7.945 1.00 54.10 C ATOM 326 CD ARG A 21 -2.275 -10.838 7.255 1.00 33.53 C ATOM 327 NE ARG A 21 -1.208 -11.840 7.058 1.00 70.24 N ATOM 328 CZ ARG A 21 -1.405 -13.159 6.907 1.00 54.11 C ATOM 329 NH1 ARG A 21 -2.627 -13.672 6.944 1.00 20.25 N ATOM 330 NH2 ARG A 21 -0.367 -13.959 6.716 1.00 24.32 N ATOM 0 H ARG A 21 -3.025 -5.295 8.157 1.00 21.21 H new ATOM 0 HA ARG A 21 -2.106 -7.430 9.812 1.00 12.44 H new ATOM 0 HB2 ARG A 21 -3.679 -8.801 8.513 1.00 45.33 H new ATOM 0 HB3 ARG A 21 -3.067 -8.149 7.005 1.00 45.33 H new ATOM 0 HG2 ARG A 21 -0.860 -9.224 7.410 1.00 54.10 H new ATOM 0 HG3 ARG A 21 -1.421 -9.832 8.955 1.00 54.10 H new ATOM 0 HD2 ARG A 21 -3.076 -11.271 7.854 1.00 33.53 H new ATOM 0 HD3 ARG A 21 -2.707 -10.571 6.291 1.00 33.53 H new ATOM 0 HE ARG A 21 -0.246 -11.503 7.035 1.00 70.24 H new ATOM 0 HH11 ARG A 21 -3.432 -13.062 7.089 1.00 20.25 H new ATOM 0 HH12 ARG A 21 -2.762 -14.676 6.828 1.00 20.25 H new ATOM 0 HH21 ARG A 21 0.576 -13.572 6.684 1.00 24.32 H new ATOM 0 HH22 ARG A 21 -0.511 -14.962 6.601 1.00 24.32 H new ATOM 344 N THR A 22 0.153 -7.087 8.711 1.00 61.25 N ATOM 345 CA THR A 22 1.494 -6.833 8.189 1.00 35.33 C ATOM 346 C THR A 22 1.888 -7.966 7.212 1.00 61.14 C ATOM 347 O THR A 22 1.950 -9.137 7.607 1.00 63.03 O ATOM 348 CB THR A 22 2.523 -6.757 9.362 1.00 13.45 C ATOM 349 OG1 THR A 22 2.044 -5.842 10.368 1.00 35.14 O ATOM 350 CG2 THR A 22 3.906 -6.304 8.863 1.00 1.34 C ATOM 0 H THR A 22 0.155 -7.640 9.568 1.00 61.25 H new ATOM 0 HA THR A 22 1.499 -5.880 7.660 1.00 35.33 H new ATOM 0 HB THR A 22 2.627 -7.754 9.790 1.00 13.45 H new ATOM 0 HG1 THR A 22 2.690 -5.797 11.104 1.00 35.14 H new ATOM 0 HG21 THR A 22 4.600 -6.261 9.703 1.00 1.34 H new ATOM 0 HG22 THR A 22 4.276 -7.013 8.123 1.00 1.34 H new ATOM 0 HG23 THR A 22 3.824 -5.316 8.410 1.00 1.34 H new ATOM 358 N TYR A 23 2.125 -7.609 5.940 1.00 54.03 N ATOM 359 CA TYR A 23 2.491 -8.562 4.874 1.00 65.21 C ATOM 360 C TYR A 23 4.000 -8.490 4.611 1.00 52.52 C ATOM 361 O TYR A 23 4.559 -7.396 4.516 1.00 50.31 O ATOM 362 CB TYR A 23 1.707 -8.240 3.571 1.00 41.04 C ATOM 363 CG TYR A 23 0.184 -8.183 3.763 1.00 52.11 C ATOM 364 CD1 TYR A 23 -0.597 -9.344 3.725 1.00 63.30 C ATOM 365 CD2 TYR A 23 -0.475 -6.968 3.992 1.00 62.35 C ATOM 366 CE1 TYR A 23 -1.968 -9.289 3.898 1.00 5.11 C ATOM 367 CE2 TYR A 23 -1.844 -6.916 4.166 1.00 15.23 C ATOM 368 CZ TYR A 23 -2.582 -8.074 4.121 1.00 21.31 C ATOM 369 OH TYR A 23 -3.947 -8.018 4.299 1.00 15.04 O ATOM 0 H TYR A 23 2.068 -6.643 5.617 1.00 54.03 H new ATOM 0 HA TYR A 23 2.231 -9.570 5.196 1.00 65.21 H new ATOM 0 HB2 TYR A 23 2.051 -7.283 3.178 1.00 41.04 H new ATOM 0 HB3 TYR A 23 1.941 -8.995 2.821 1.00 41.04 H new ATOM 0 HD1 TYR A 23 -0.121 -10.299 3.558 1.00 63.30 H new ATOM 0 HD2 TYR A 23 0.099 -6.054 4.033 1.00 62.35 H new ATOM 0 HE1 TYR A 23 -2.556 -10.194 3.859 1.00 5.11 H new ATOM 0 HE2 TYR A 23 -2.333 -5.968 4.337 1.00 15.23 H new ATOM 0 HH TYR A 23 -4.170 -7.266 4.886 1.00 15.04 H new ATOM 379 N GLN A 24 4.645 -9.658 4.482 1.00 54.10 N ATOM 380 CA GLN A 24 6.091 -9.743 4.211 1.00 74.33 C ATOM 381 C GLN A 24 6.272 -9.802 2.695 1.00 51.45 C ATOM 382 O GLN A 24 5.952 -10.819 2.068 1.00 54.50 O ATOM 383 CB GLN A 24 6.735 -10.997 4.881 1.00 62.10 C ATOM 384 CG GLN A 24 6.808 -10.987 6.427 1.00 12.22 C ATOM 385 CD GLN A 24 5.447 -10.977 7.125 1.00 51.04 C ATOM 386 OE1 GLN A 24 4.850 -12.029 7.357 1.00 2.35 O ATOM 387 NE2 GLN A 24 4.967 -9.800 7.505 1.00 51.40 N ATOM 0 H GLN A 24 4.185 -10.565 4.561 1.00 54.10 H new ATOM 0 HA GLN A 24 6.591 -8.871 4.632 1.00 74.33 H new ATOM 0 HB2 GLN A 24 6.172 -11.878 4.571 1.00 62.10 H new ATOM 0 HB3 GLN A 24 7.747 -11.111 4.491 1.00 62.10 H new ATOM 0 HG2 GLN A 24 7.366 -11.863 6.758 1.00 12.22 H new ATOM 0 HG3 GLN A 24 7.373 -10.111 6.746 1.00 12.22 H new ATOM 0 HE21 GLN A 24 5.486 -8.947 7.298 1.00 51.40 H new ATOM 0 HE22 GLN A 24 4.079 -9.748 8.005 1.00 51.40 H new ATOM 396 N LEU A 25 6.761 -8.707 2.110 1.00 44.00 N ATOM 397 CA LEU A 25 6.970 -8.592 0.664 1.00 65.13 C ATOM 398 C LEU A 25 8.476 -8.550 0.377 1.00 2.21 C ATOM 399 O LEU A 25 9.132 -7.520 0.574 1.00 73.34 O ATOM 400 CB LEU A 25 6.222 -7.340 0.113 1.00 21.43 C ATOM 401 CG LEU A 25 4.672 -7.332 0.347 1.00 42.24 C ATOM 402 CD1 LEU A 25 4.000 -6.108 -0.307 1.00 20.31 C ATOM 403 CD2 LEU A 25 4.022 -8.650 -0.135 1.00 33.31 C ATOM 0 H LEU A 25 7.025 -7.869 2.629 1.00 44.00 H new ATOM 0 HA LEU A 25 6.555 -9.459 0.150 1.00 65.13 H new ATOM 0 HB2 LEU A 25 6.648 -6.450 0.575 1.00 21.43 H new ATOM 0 HB3 LEU A 25 6.412 -7.265 -0.958 1.00 21.43 H new ATOM 0 HG LEU A 25 4.511 -7.255 1.422 1.00 42.24 H new ATOM 0 HD11 LEU A 25 2.926 -6.140 -0.122 1.00 20.31 H new ATOM 0 HD12 LEU A 25 4.415 -5.194 0.119 1.00 20.31 H new ATOM 0 HD13 LEU A 25 4.183 -6.123 -1.381 1.00 20.31 H new ATOM 0 HD21 LEU A 25 2.947 -8.611 0.042 1.00 33.31 H new ATOM 0 HD22 LEU A 25 4.210 -8.780 -1.201 1.00 33.31 H new ATOM 0 HD23 LEU A 25 4.450 -9.489 0.414 1.00 33.31 H new ATOM 415 N TYR A 26 9.024 -9.712 -0.018 1.00 22.41 N ATOM 416 CA TYR A 26 10.437 -9.860 -0.393 1.00 31.30 C ATOM 417 C TYR A 26 10.588 -9.682 -1.914 1.00 40.11 C ATOM 418 O TYR A 26 9.729 -10.123 -2.682 1.00 30.44 O ATOM 419 CB TYR A 26 10.964 -11.255 0.040 1.00 14.43 C ATOM 420 CG TYR A 26 12.492 -11.412 -0.087 1.00 33.30 C ATOM 421 CD1 TYR A 26 13.331 -10.968 0.932 1.00 1.51 C ATOM 422 CD2 TYR A 26 13.097 -11.969 -1.225 1.00 52.24 C ATOM 423 CE1 TYR A 26 14.700 -11.067 0.838 1.00 15.34 C ATOM 424 CE2 TYR A 26 14.477 -12.074 -1.321 1.00 54.22 C ATOM 425 CZ TYR A 26 15.271 -11.617 -0.286 1.00 15.32 C ATOM 426 OH TYR A 26 16.646 -11.706 -0.373 1.00 4.11 O ATOM 0 H TYR A 26 8.493 -10.580 -0.086 1.00 22.41 H new ATOM 0 HA TYR A 26 11.024 -9.096 0.116 1.00 31.30 H new ATOM 0 HB2 TYR A 26 10.675 -11.437 1.075 1.00 14.43 H new ATOM 0 HB3 TYR A 26 10.478 -12.020 -0.566 1.00 14.43 H new ATOM 0 HD1 TYR A 26 12.895 -10.534 1.820 1.00 1.51 H new ATOM 0 HD2 TYR A 26 12.479 -12.321 -2.038 1.00 52.24 H new ATOM 0 HE1 TYR A 26 15.325 -10.714 1.645 1.00 15.34 H new ATOM 0 HE2 TYR A 26 14.928 -12.510 -2.200 1.00 54.22 H new ATOM 0 HH TYR A 26 17.042 -10.824 -0.214 1.00 4.11 H new ATOM 436 N ALA A 27 11.703 -9.070 -2.326 1.00 61.50 N ATOM 437 CA ALA A 27 12.019 -8.789 -3.734 1.00 25.12 C ATOM 438 C ALA A 27 13.527 -8.598 -3.885 1.00 13.01 C ATOM 439 O ALA A 27 14.219 -8.341 -2.899 1.00 41.13 O ATOM 440 CB ALA A 27 11.275 -7.526 -4.192 1.00 70.31 C ATOM 0 H ALA A 27 12.425 -8.750 -1.681 1.00 61.50 H new ATOM 0 HA ALA A 27 11.700 -9.626 -4.355 1.00 25.12 H new ATOM 0 HB1 ALA A 27 11.513 -7.322 -5.236 1.00 70.31 H new ATOM 0 HB2 ALA A 27 10.201 -7.678 -4.087 1.00 70.31 H new ATOM 0 HB3 ALA A 27 11.583 -6.680 -3.578 1.00 70.31 H new ATOM 446 N VAL A 28 14.035 -8.732 -5.121 1.00 60.33 N ATOM 447 CA VAL A 28 15.429 -8.383 -5.443 1.00 21.32 C ATOM 448 C VAL A 28 15.539 -6.844 -5.518 1.00 60.43 C ATOM 449 O VAL A 28 16.179 -6.221 -4.668 1.00 72.14 O ATOM 450 CB VAL A 28 15.911 -9.091 -6.773 1.00 62.32 C ATOM 451 CG1 VAL A 28 17.285 -8.570 -7.261 1.00 41.45 C ATOM 452 CG2 VAL A 28 15.945 -10.632 -6.583 1.00 70.31 C ATOM 0 H VAL A 28 13.499 -9.081 -5.916 1.00 60.33 H new ATOM 0 HA VAL A 28 16.095 -8.747 -4.660 1.00 21.32 H new ATOM 0 HB VAL A 28 15.187 -8.842 -7.549 1.00 62.32 H new ATOM 0 HG11 VAL A 28 17.567 -9.090 -8.177 1.00 41.45 H new ATOM 0 HG12 VAL A 28 17.220 -7.500 -7.457 1.00 41.45 H new ATOM 0 HG13 VAL A 28 18.037 -8.753 -6.494 1.00 41.45 H new ATOM 0 HG21 VAL A 28 16.279 -11.105 -7.507 1.00 70.31 H new ATOM 0 HG22 VAL A 28 16.634 -10.884 -5.777 1.00 70.31 H new ATOM 0 HG23 VAL A 28 14.946 -10.990 -6.332 1.00 70.31 H new ATOM 462 N ARG A 29 14.868 -6.233 -6.506 1.00 32.12 N ATOM 463 CA ARG A 29 14.803 -4.761 -6.633 1.00 73.34 C ATOM 464 C ARG A 29 13.512 -4.219 -5.990 1.00 60.00 C ATOM 465 O ARG A 29 12.548 -4.961 -5.772 1.00 31.33 O ATOM 466 CB ARG A 29 14.862 -4.325 -8.121 1.00 51.21 C ATOM 467 CG ARG A 29 16.121 -4.773 -8.896 1.00 24.34 C ATOM 468 CD ARG A 29 16.058 -4.350 -10.375 1.00 64.34 C ATOM 469 NE ARG A 29 17.145 -4.911 -11.190 1.00 31.51 N ATOM 470 CZ ARG A 29 17.300 -4.701 -12.512 1.00 13.01 C ATOM 471 NH1 ARG A 29 16.453 -3.924 -13.194 1.00 74.13 N ATOM 472 NH2 ARG A 29 18.296 -5.290 -13.153 1.00 45.55 N ATOM 0 H ARG A 29 14.359 -6.734 -7.234 1.00 32.12 H new ATOM 0 HA ARG A 29 15.666 -4.347 -6.112 1.00 73.34 H new ATOM 0 HB2 ARG A 29 13.983 -4.718 -8.632 1.00 51.21 H new ATOM 0 HB3 ARG A 29 14.797 -3.238 -8.166 1.00 51.21 H new ATOM 0 HG2 ARG A 29 17.007 -4.341 -8.431 1.00 24.34 H new ATOM 0 HG3 ARG A 29 16.222 -5.856 -8.831 1.00 24.34 H new ATOM 0 HD2 ARG A 29 15.101 -4.662 -10.794 1.00 64.34 H new ATOM 0 HD3 ARG A 29 16.093 -3.262 -10.436 1.00 64.34 H new ATOM 0 HE ARG A 29 17.832 -5.502 -10.721 1.00 31.51 H new ATOM 0 HH11 ARG A 29 15.672 -3.477 -12.714 1.00 74.13 H new ATOM 0 HH12 ARG A 29 16.588 -3.778 -14.194 1.00 74.13 H new ATOM 0 HH21 ARG A 29 18.940 -5.898 -12.647 1.00 45.55 H new ATOM 0 HH22 ARG A 29 18.420 -5.136 -14.154 1.00 45.55 H new ATOM 486 N ASP A 30 13.515 -2.911 -5.713 1.00 33.30 N ATOM 487 CA ASP A 30 12.340 -2.167 -5.210 1.00 3.32 C ATOM 488 C ASP A 30 11.253 -2.030 -6.304 1.00 1.11 C ATOM 489 O ASP A 30 10.068 -1.914 -5.989 1.00 30.55 O ATOM 490 CB ASP A 30 12.775 -0.767 -4.675 1.00 60.04 C ATOM 491 CG ASP A 30 13.396 0.162 -5.746 1.00 12.51 C ATOM 492 OD1 ASP A 30 14.270 -0.299 -6.520 1.00 24.14 O ATOM 493 OD2 ASP A 30 13.036 1.352 -5.808 1.00 21.34 O ATOM 0 H ASP A 30 14.342 -2.325 -5.831 1.00 33.30 H new ATOM 0 HA ASP A 30 11.905 -2.732 -4.386 1.00 3.32 H new ATOM 0 HB2 ASP A 30 11.906 -0.271 -4.241 1.00 60.04 H new ATOM 0 HB3 ASP A 30 13.497 -0.907 -3.870 1.00 60.04 H new ATOM 498 N GLU A 31 11.671 -2.054 -7.595 1.00 70.40 N ATOM 499 CA GLU A 31 10.733 -2.023 -8.749 1.00 54.14 C ATOM 500 C GLU A 31 9.925 -3.337 -8.856 1.00 50.21 C ATOM 501 O GLU A 31 8.823 -3.354 -9.403 1.00 70.13 O ATOM 502 CB GLU A 31 11.474 -1.752 -10.085 1.00 62.44 C ATOM 503 CG GLU A 31 12.477 -2.848 -10.510 1.00 71.41 C ATOM 504 CD GLU A 31 12.990 -2.665 -11.947 1.00 64.14 C ATOM 505 OE1 GLU A 31 12.203 -2.898 -12.888 1.00 24.10 O ATOM 506 OE2 GLU A 31 14.167 -2.289 -12.148 1.00 44.52 O ATOM 0 H GLU A 31 12.654 -2.095 -7.864 1.00 70.40 H new ATOM 0 HA GLU A 31 10.041 -1.201 -8.567 1.00 54.14 H new ATOM 0 HB2 GLU A 31 10.734 -1.632 -10.876 1.00 62.44 H new ATOM 0 HB3 GLU A 31 12.007 -0.805 -10.002 1.00 62.44 H new ATOM 0 HG2 GLU A 31 13.324 -2.844 -9.824 1.00 71.41 H new ATOM 0 HG3 GLU A 31 12.000 -3.824 -10.422 1.00 71.41 H new ATOM 513 N GLU A 32 10.491 -4.430 -8.321 1.00 42.14 N ATOM 514 CA GLU A 32 9.829 -5.750 -8.287 1.00 13.34 C ATOM 515 C GLU A 32 8.665 -5.728 -7.286 1.00 75.54 C ATOM 516 O GLU A 32 7.662 -6.414 -7.465 1.00 21.31 O ATOM 517 CB GLU A 32 10.848 -6.839 -7.882 1.00 11.12 C ATOM 518 CG GLU A 32 12.132 -6.854 -8.723 1.00 40.40 C ATOM 519 CD GLU A 32 11.910 -7.276 -10.182 1.00 15.00 C ATOM 520 OE1 GLU A 32 11.884 -8.495 -10.453 1.00 71.52 O ATOM 521 OE2 GLU A 32 11.777 -6.399 -11.057 1.00 13.31 O ATOM 0 H GLU A 32 11.420 -4.427 -7.899 1.00 42.14 H new ATOM 0 HA GLU A 32 9.440 -5.976 -9.280 1.00 13.34 H new ATOM 0 HB2 GLU A 32 11.116 -6.696 -6.835 1.00 11.12 H new ATOM 0 HB3 GLU A 32 10.368 -7.814 -7.958 1.00 11.12 H new ATOM 0 HG2 GLU A 32 12.579 -5.860 -8.706 1.00 40.40 H new ATOM 0 HG3 GLU A 32 12.849 -7.534 -8.263 1.00 40.40 H new ATOM 528 N LEU A 33 8.834 -4.902 -6.240 1.00 33.23 N ATOM 529 CA LEU A 33 7.864 -4.736 -5.148 1.00 31.30 C ATOM 530 C LEU A 33 6.553 -4.089 -5.664 1.00 1.11 C ATOM 531 O LEU A 33 5.501 -4.270 -5.059 1.00 24.33 O ATOM 532 CB LEU A 33 8.512 -3.887 -3.993 1.00 51.12 C ATOM 533 CG LEU A 33 8.241 -4.360 -2.525 1.00 23.11 C ATOM 534 CD1 LEU A 33 6.746 -4.339 -2.157 1.00 75.04 C ATOM 535 CD2 LEU A 33 8.854 -5.755 -2.260 1.00 50.40 C ATOM 0 H LEU A 33 9.665 -4.321 -6.129 1.00 33.23 H new ATOM 0 HA LEU A 33 7.601 -5.717 -4.751 1.00 31.30 H new ATOM 0 HB2 LEU A 33 9.591 -3.870 -4.150 1.00 51.12 H new ATOM 0 HB3 LEU A 33 8.159 -2.860 -4.089 1.00 51.12 H new ATOM 0 HG LEU A 33 8.736 -3.638 -1.876 1.00 23.11 H new ATOM 0 HD11 LEU A 33 6.620 -4.677 -1.128 1.00 75.04 H new ATOM 0 HD12 LEU A 33 6.361 -3.324 -2.256 1.00 75.04 H new ATOM 0 HD13 LEU A 33 6.197 -5.002 -2.826 1.00 75.04 H new ATOM 0 HD21 LEU A 33 8.648 -6.054 -1.232 1.00 50.40 H new ATOM 0 HD22 LEU A 33 8.415 -6.481 -2.944 1.00 50.40 H new ATOM 0 HD23 LEU A 33 9.932 -5.715 -2.417 1.00 50.40 H new ATOM 547 N LYS A 34 6.644 -3.350 -6.791 1.00 50.44 N ATOM 548 CA LYS A 34 5.496 -2.643 -7.404 1.00 3.30 C ATOM 549 C LYS A 34 4.317 -3.597 -7.687 1.00 12.01 C ATOM 550 O LYS A 34 3.219 -3.407 -7.155 1.00 5.04 O ATOM 551 CB LYS A 34 5.924 -1.935 -8.717 1.00 14.42 C ATOM 552 CG LYS A 34 6.954 -0.801 -8.538 1.00 65.31 C ATOM 553 CD LYS A 34 7.443 -0.175 -9.875 1.00 50.41 C ATOM 554 CE LYS A 34 6.397 0.697 -10.598 1.00 24.41 C ATOM 555 NZ LYS A 34 5.203 -0.052 -11.086 1.00 42.40 N ATOM 0 H LYS A 34 7.517 -3.226 -7.303 1.00 50.44 H new ATOM 0 HA LYS A 34 5.161 -1.896 -6.685 1.00 3.30 H new ATOM 0 HB2 LYS A 34 6.340 -2.680 -9.395 1.00 14.42 H new ATOM 0 HB3 LYS A 34 5.036 -1.526 -9.198 1.00 14.42 H new ATOM 0 HG2 LYS A 34 6.513 -0.018 -7.921 1.00 65.31 H new ATOM 0 HG3 LYS A 34 7.815 -1.189 -7.994 1.00 65.31 H new ATOM 0 HD2 LYS A 34 8.326 0.432 -9.675 1.00 50.41 H new ATOM 0 HD3 LYS A 34 7.753 -0.978 -10.545 1.00 50.41 H new ATOM 0 HE2 LYS A 34 6.066 1.483 -9.920 1.00 24.41 H new ATOM 0 HE3 LYS A 34 6.874 1.188 -11.446 1.00 24.41 H new ATOM 0 HZ1 LYS A 34 4.919 0.316 -12.016 1.00 42.40 H new ATOM 0 HZ2 LYS A 34 5.437 -1.062 -11.170 1.00 42.40 H new ATOM 0 HZ3 LYS A 34 4.419 0.067 -10.413 1.00 42.40 H new ATOM 569 N GLU A 35 4.568 -4.639 -8.499 1.00 12.13 N ATOM 570 CA GLU A 35 3.529 -5.607 -8.889 1.00 34.42 C ATOM 571 C GLU A 35 3.026 -6.425 -7.681 1.00 31.44 C ATOM 572 O GLU A 35 1.885 -6.888 -7.677 1.00 71.53 O ATOM 573 CB GLU A 35 4.022 -6.504 -10.071 1.00 43.22 C ATOM 574 CG GLU A 35 5.376 -7.255 -9.877 1.00 52.52 C ATOM 575 CD GLU A 35 5.334 -8.528 -8.997 1.00 33.13 C ATOM 576 OE1 GLU A 35 4.254 -9.144 -8.829 1.00 1.12 O ATOM 577 OE2 GLU A 35 6.401 -8.946 -8.497 1.00 1.54 O ATOM 0 H GLU A 35 5.486 -4.832 -8.899 1.00 12.13 H new ATOM 0 HA GLU A 35 2.664 -5.051 -9.252 1.00 34.42 H new ATOM 0 HB2 GLU A 35 3.250 -7.246 -10.277 1.00 43.22 H new ATOM 0 HB3 GLU A 35 4.107 -5.877 -10.959 1.00 43.22 H new ATOM 0 HG2 GLU A 35 5.758 -7.531 -10.860 1.00 52.52 H new ATOM 0 HG3 GLU A 35 6.093 -6.560 -9.440 1.00 52.52 H new ATOM 584 N LYS A 36 3.887 -6.569 -6.650 1.00 41.43 N ATOM 585 CA LYS A 36 3.541 -7.271 -5.393 1.00 3.32 C ATOM 586 C LYS A 36 2.518 -6.465 -4.589 1.00 41.43 C ATOM 587 O LYS A 36 1.584 -7.031 -4.026 1.00 31.43 O ATOM 588 CB LYS A 36 4.813 -7.526 -4.543 1.00 61.31 C ATOM 589 CG LYS A 36 5.898 -8.266 -5.329 1.00 71.43 C ATOM 590 CD LYS A 36 7.157 -8.598 -4.515 1.00 10.02 C ATOM 591 CE LYS A 36 8.247 -9.228 -5.396 1.00 55.21 C ATOM 592 NZ LYS A 36 7.743 -10.373 -6.206 1.00 43.50 N ATOM 0 H LYS A 36 4.839 -6.203 -6.665 1.00 41.43 H new ATOM 0 HA LYS A 36 3.098 -8.233 -5.651 1.00 3.32 H new ATOM 0 HB2 LYS A 36 5.209 -6.574 -4.190 1.00 61.31 H new ATOM 0 HB3 LYS A 36 4.547 -8.107 -3.660 1.00 61.31 H new ATOM 0 HG2 LYS A 36 5.478 -9.193 -5.720 1.00 71.43 H new ATOM 0 HG3 LYS A 36 6.185 -7.659 -6.188 1.00 71.43 H new ATOM 0 HD2 LYS A 36 7.542 -7.690 -4.052 1.00 10.02 H new ATOM 0 HD3 LYS A 36 6.899 -9.283 -3.707 1.00 10.02 H new ATOM 0 HE2 LYS A 36 8.653 -8.468 -6.063 1.00 55.21 H new ATOM 0 HE3 LYS A 36 9.067 -9.569 -4.764 1.00 55.21 H new ATOM 0 HZ1 LYS A 36 8.544 -10.963 -6.509 1.00 43.50 H new ATOM 0 HZ2 LYS A 36 7.090 -10.944 -5.632 1.00 43.50 H new ATOM 0 HZ3 LYS A 36 7.243 -10.012 -7.043 1.00 43.50 H new ATOM 606 N LEU A 37 2.729 -5.137 -4.542 1.00 2.22 N ATOM 607 CA LEU A 37 1.782 -4.188 -3.939 1.00 33.42 C ATOM 608 C LEU A 37 0.439 -4.222 -4.680 1.00 34.33 C ATOM 609 O LEU A 37 -0.600 -4.249 -4.039 1.00 10.23 O ATOM 610 CB LEU A 37 2.362 -2.757 -3.952 1.00 74.12 C ATOM 611 CG LEU A 37 3.580 -2.506 -3.022 1.00 54.34 C ATOM 612 CD1 LEU A 37 4.230 -1.157 -3.344 1.00 1.01 C ATOM 613 CD2 LEU A 37 3.178 -2.591 -1.529 1.00 73.21 C ATOM 0 H LEU A 37 3.564 -4.693 -4.923 1.00 2.22 H new ATOM 0 HA LEU A 37 1.616 -4.485 -2.904 1.00 33.42 H new ATOM 0 HB2 LEU A 37 2.654 -2.514 -4.974 1.00 74.12 H new ATOM 0 HB3 LEU A 37 1.569 -2.063 -3.674 1.00 74.12 H new ATOM 0 HG LEU A 37 4.313 -3.292 -3.205 1.00 54.34 H new ATOM 0 HD11 LEU A 37 5.082 -0.997 -2.683 1.00 1.01 H new ATOM 0 HD12 LEU A 37 4.569 -1.154 -4.380 1.00 1.01 H new ATOM 0 HD13 LEU A 37 3.502 -0.359 -3.198 1.00 1.01 H new ATOM 0 HD21 LEU A 37 4.054 -2.411 -0.906 1.00 73.21 H new ATOM 0 HD22 LEU A 37 2.418 -1.840 -1.313 1.00 73.21 H new ATOM 0 HD23 LEU A 37 2.779 -3.583 -1.316 1.00 73.21 H new ATOM 625 N LYS A 38 0.479 -4.240 -6.040 1.00 4.35 N ATOM 626 CA LYS A 38 -0.738 -4.343 -6.881 1.00 22.42 C ATOM 627 C LYS A 38 -1.540 -5.597 -6.526 1.00 11.31 C ATOM 628 O LYS A 38 -2.762 -5.546 -6.439 1.00 1.15 O ATOM 629 CB LYS A 38 -0.381 -4.381 -8.386 1.00 21.12 C ATOM 630 CG LYS A 38 0.321 -3.118 -8.910 1.00 35.34 C ATOM 631 CD LYS A 38 0.588 -3.184 -10.426 1.00 72.43 C ATOM 632 CE LYS A 38 -0.707 -3.293 -11.252 1.00 52.35 C ATOM 633 NZ LYS A 38 -0.445 -3.305 -12.713 1.00 11.51 N ATOM 0 H LYS A 38 1.346 -4.184 -6.575 1.00 4.35 H new ATOM 0 HA LYS A 38 -1.341 -3.457 -6.682 1.00 22.42 H new ATOM 0 HB2 LYS A 38 0.262 -5.241 -8.572 1.00 21.12 H new ATOM 0 HB3 LYS A 38 -1.295 -4.537 -8.959 1.00 21.12 H new ATOM 0 HG2 LYS A 38 -0.294 -2.245 -8.689 1.00 35.34 H new ATOM 0 HG3 LYS A 38 1.265 -2.985 -8.382 1.00 35.34 H new ATOM 0 HD2 LYS A 38 1.137 -2.294 -10.733 1.00 72.43 H new ATOM 0 HD3 LYS A 38 1.225 -4.042 -10.642 1.00 72.43 H new ATOM 0 HE2 LYS A 38 -1.238 -4.203 -10.973 1.00 52.35 H new ATOM 0 HE3 LYS A 38 -1.361 -2.456 -11.009 1.00 52.35 H new ATOM 0 HZ1 LYS A 38 -1.328 -3.107 -13.226 1.00 11.51 H new ATOM 0 HZ2 LYS A 38 0.261 -2.577 -12.945 1.00 11.51 H new ATOM 0 HZ3 LYS A 38 -0.084 -4.239 -12.993 1.00 11.51 H new ATOM 647 N LYS A 39 -0.816 -6.715 -6.319 1.00 10.12 N ATOM 648 CA LYS A 39 -1.414 -7.997 -5.924 1.00 72.41 C ATOM 649 C LYS A 39 -2.094 -7.880 -4.556 1.00 74.22 C ATOM 650 O LYS A 39 -3.303 -7.996 -4.468 1.00 25.31 O ATOM 651 CB LYS A 39 -0.350 -9.136 -5.922 1.00 40.53 C ATOM 652 CG LYS A 39 0.134 -9.558 -7.330 1.00 74.21 C ATOM 653 CD LYS A 39 -1.011 -10.055 -8.248 1.00 55.50 C ATOM 654 CE LYS A 39 -1.707 -11.304 -7.694 1.00 60.35 C ATOM 655 NZ LYS A 39 -2.883 -11.701 -8.506 1.00 43.54 N ATOM 0 H LYS A 39 0.198 -6.750 -6.422 1.00 10.12 H new ATOM 0 HA LYS A 39 -2.175 -8.254 -6.661 1.00 72.41 H new ATOM 0 HB2 LYS A 39 0.511 -8.812 -5.337 1.00 40.53 H new ATOM 0 HB3 LYS A 39 -0.769 -10.007 -5.418 1.00 40.53 H new ATOM 0 HG2 LYS A 39 0.630 -8.711 -7.805 1.00 74.21 H new ATOM 0 HG3 LYS A 39 0.878 -10.348 -7.229 1.00 74.21 H new ATOM 0 HD2 LYS A 39 -1.745 -9.259 -8.372 1.00 55.50 H new ATOM 0 HD3 LYS A 39 -0.610 -10.275 -9.237 1.00 55.50 H new ATOM 0 HE2 LYS A 39 -0.996 -12.129 -7.662 1.00 60.35 H new ATOM 0 HE3 LYS A 39 -2.024 -11.116 -6.668 1.00 60.35 H new ATOM 0 HZ1 LYS A 39 -3.320 -12.549 -8.093 1.00 43.54 H new ATOM 0 HZ2 LYS A 39 -3.575 -10.925 -8.517 1.00 43.54 H new ATOM 0 HZ3 LYS A 39 -2.579 -11.907 -9.479 1.00 43.54 H new ATOM 669 N VAL A 40 -1.301 -7.564 -3.520 1.00 44.25 N ATOM 670 CA VAL A 40 -1.764 -7.549 -2.118 1.00 63.14 C ATOM 671 C VAL A 40 -2.914 -6.550 -1.908 1.00 42.13 C ATOM 672 O VAL A 40 -3.840 -6.842 -1.174 1.00 64.44 O ATOM 673 CB VAL A 40 -0.581 -7.222 -1.124 1.00 42.41 C ATOM 674 CG1 VAL A 40 -1.058 -7.113 0.347 1.00 24.23 C ATOM 675 CG2 VAL A 40 0.538 -8.274 -1.253 1.00 13.31 C ATOM 0 H VAL A 40 -0.319 -7.311 -3.628 1.00 44.25 H new ATOM 0 HA VAL A 40 -2.136 -8.550 -1.901 1.00 63.14 H new ATOM 0 HB VAL A 40 -0.187 -6.245 -1.405 1.00 42.41 H new ATOM 0 HG11 VAL A 40 -0.207 -6.887 0.990 1.00 24.23 H new ATOM 0 HG12 VAL A 40 -1.798 -6.317 0.432 1.00 24.23 H new ATOM 0 HG13 VAL A 40 -1.505 -8.058 0.656 1.00 24.23 H new ATOM 0 HG21 VAL A 40 1.345 -8.033 -0.561 1.00 13.31 H new ATOM 0 HG22 VAL A 40 0.139 -9.260 -1.016 1.00 13.31 H new ATOM 0 HG23 VAL A 40 0.922 -8.273 -2.273 1.00 13.31 H new ATOM 685 N LEU A 41 -2.846 -5.395 -2.583 1.00 31.11 N ATOM 686 CA LEU A 41 -3.872 -4.339 -2.488 1.00 50.24 C ATOM 687 C LEU A 41 -5.172 -4.756 -3.195 1.00 73.55 C ATOM 688 O LEU A 41 -6.244 -4.631 -2.615 1.00 64.20 O ATOM 689 CB LEU A 41 -3.329 -3.000 -3.062 1.00 63.10 C ATOM 690 CG LEU A 41 -2.337 -2.234 -2.131 1.00 11.42 C ATOM 691 CD1 LEU A 41 -1.620 -1.101 -2.889 1.00 34.32 C ATOM 692 CD2 LEU A 41 -3.075 -1.693 -0.883 1.00 33.23 C ATOM 0 H LEU A 41 -2.078 -5.163 -3.213 1.00 31.11 H new ATOM 0 HA LEU A 41 -4.107 -4.191 -1.434 1.00 50.24 H new ATOM 0 HB2 LEU A 41 -2.830 -3.205 -4.009 1.00 63.10 H new ATOM 0 HB3 LEU A 41 -4.174 -2.348 -3.282 1.00 63.10 H new ATOM 0 HG LEU A 41 -1.573 -2.936 -1.798 1.00 11.42 H new ATOM 0 HD11 LEU A 41 -0.936 -0.587 -2.213 1.00 34.32 H new ATOM 0 HD12 LEU A 41 -1.058 -1.520 -3.724 1.00 34.32 H new ATOM 0 HD13 LEU A 41 -2.357 -0.393 -3.267 1.00 34.32 H new ATOM 0 HD21 LEU A 41 -2.369 -1.162 -0.245 1.00 33.23 H new ATOM 0 HD22 LEU A 41 -3.866 -1.011 -1.195 1.00 33.23 H new ATOM 0 HD23 LEU A 41 -3.510 -2.525 -0.329 1.00 33.23 H new ATOM 704 N ASN A 42 -5.062 -5.272 -4.434 1.00 21.50 N ATOM 705 CA ASN A 42 -6.235 -5.658 -5.252 1.00 53.34 C ATOM 706 C ASN A 42 -6.927 -6.909 -4.668 1.00 23.32 C ATOM 707 O ASN A 42 -8.145 -7.043 -4.765 1.00 52.44 O ATOM 708 CB ASN A 42 -5.809 -5.916 -6.723 1.00 12.25 C ATOM 709 CG ASN A 42 -6.983 -6.091 -7.695 1.00 45.30 C ATOM 710 OD1 ASN A 42 -8.034 -5.466 -7.545 1.00 74.34 O ATOM 711 ND2 ASN A 42 -6.815 -6.939 -8.694 1.00 34.45 N ATOM 0 H ASN A 42 -4.167 -5.433 -4.896 1.00 21.50 H new ATOM 0 HA ASN A 42 -6.947 -4.833 -5.233 1.00 53.34 H new ATOM 0 HB2 ASN A 42 -5.192 -5.084 -7.062 1.00 12.25 H new ATOM 0 HB3 ASN A 42 -5.186 -6.810 -6.758 1.00 12.25 H new ATOM 0 HD21 ASN A 42 -7.567 -7.090 -9.367 1.00 34.45 H new ATOM 0 HD22 ASN A 42 -5.933 -7.442 -8.793 1.00 34.45 H new ATOM 718 N GLU A 43 -6.128 -7.806 -4.050 1.00 15.54 N ATOM 719 CA GLU A 43 -6.613 -9.060 -3.426 1.00 10.22 C ATOM 720 C GLU A 43 -7.155 -8.789 -2.011 1.00 32.11 C ATOM 721 O GLU A 43 -8.105 -9.450 -1.573 1.00 40.23 O ATOM 722 CB GLU A 43 -5.486 -10.127 -3.371 1.00 61.43 C ATOM 723 CG GLU A 43 -4.965 -10.589 -4.752 1.00 74.32 C ATOM 724 CD GLU A 43 -3.815 -11.599 -4.649 1.00 22.40 C ATOM 725 OE1 GLU A 43 -2.720 -11.211 -4.188 1.00 24.24 O ATOM 726 OE2 GLU A 43 -3.992 -12.786 -5.015 1.00 1.21 O ATOM 0 H GLU A 43 -5.119 -7.680 -3.969 1.00 15.54 H new ATOM 0 HA GLU A 43 -7.424 -9.447 -4.043 1.00 10.22 H new ATOM 0 HB2 GLU A 43 -4.650 -9.724 -2.799 1.00 61.43 H new ATOM 0 HB3 GLU A 43 -5.854 -10.997 -2.827 1.00 61.43 H new ATOM 0 HG2 GLU A 43 -5.785 -11.036 -5.313 1.00 74.32 H new ATOM 0 HG3 GLU A 43 -4.629 -9.720 -5.317 1.00 74.32 H new ATOM 733 N ARG A 44 -6.533 -7.829 -1.289 1.00 64.24 N ATOM 734 CA ARG A 44 -7.073 -7.296 -0.016 1.00 54.24 C ATOM 735 C ARG A 44 -8.444 -6.678 -0.279 1.00 71.15 C ATOM 736 O ARG A 44 -9.406 -6.911 0.458 1.00 5.34 O ATOM 737 CB ARG A 44 -6.126 -6.220 0.601 1.00 40.04 C ATOM 738 CG ARG A 44 -6.644 -5.479 1.865 1.00 10.34 C ATOM 739 CD ARG A 44 -6.732 -6.362 3.127 1.00 63.00 C ATOM 740 NE ARG A 44 -7.817 -7.363 3.087 1.00 52.15 N ATOM 741 CZ ARG A 44 -8.215 -8.105 4.131 1.00 14.21 C ATOM 742 NH1 ARG A 44 -7.635 -7.984 5.320 1.00 22.11 N ATOM 743 NH2 ARG A 44 -9.184 -8.993 3.972 1.00 63.44 N ATOM 0 H ARG A 44 -5.649 -7.404 -1.569 1.00 64.24 H new ATOM 0 HA ARG A 44 -7.155 -8.118 0.695 1.00 54.24 H new ATOM 0 HB2 ARG A 44 -5.181 -6.702 0.852 1.00 40.04 H new ATOM 0 HB3 ARG A 44 -5.911 -5.476 -0.166 1.00 40.04 H new ATOM 0 HG2 ARG A 44 -5.987 -4.635 2.072 1.00 10.34 H new ATOM 0 HG3 ARG A 44 -7.632 -5.070 1.653 1.00 10.34 H new ATOM 0 HD2 ARG A 44 -5.781 -6.877 3.264 1.00 63.00 H new ATOM 0 HD3 ARG A 44 -6.875 -5.721 3.997 1.00 63.00 H new ATOM 0 HE ARG A 44 -8.300 -7.500 2.199 1.00 52.15 H new ATOM 0 HH11 ARG A 44 -6.873 -7.318 5.451 1.00 22.11 H new ATOM 0 HH12 ARG A 44 -7.951 -8.557 6.102 1.00 22.11 H new ATOM 0 HH21 ARG A 44 -9.624 -9.110 3.059 1.00 63.44 H new ATOM 0 HH22 ARG A 44 -9.491 -9.560 4.762 1.00 63.44 H new ATOM 757 N MET A 45 -8.505 -5.910 -1.373 1.00 1.22 N ATOM 758 CA MET A 45 -9.705 -5.202 -1.788 1.00 75.34 C ATOM 759 C MET A 45 -10.603 -6.050 -2.695 1.00 70.41 C ATOM 760 O MET A 45 -11.630 -5.562 -3.126 1.00 3.21 O ATOM 761 CB MET A 45 -9.354 -3.856 -2.474 1.00 43.42 C ATOM 762 CG MET A 45 -8.696 -2.824 -1.547 1.00 34.03 C ATOM 763 SD MET A 45 -8.640 -1.179 -2.280 1.00 0.54 S ATOM 764 CE MET A 45 -10.391 -0.799 -2.464 1.00 61.24 C ATOM 0 H MET A 45 -7.711 -5.766 -1.996 1.00 1.22 H new ATOM 0 HA MET A 45 -10.270 -4.993 -0.880 1.00 75.34 H new ATOM 0 HB2 MET A 45 -8.685 -4.053 -3.312 1.00 43.42 H new ATOM 0 HB3 MET A 45 -10.265 -3.425 -2.889 1.00 43.42 H new ATOM 0 HG2 MET A 45 -9.246 -2.781 -0.607 1.00 34.03 H new ATOM 0 HG3 MET A 45 -7.683 -3.147 -1.309 1.00 34.03 H new ATOM 0 HE1 MET A 45 -10.515 0.271 -2.632 1.00 61.24 H new ATOM 0 HE2 MET A 45 -10.795 -1.349 -3.314 1.00 61.24 H new ATOM 0 HE3 MET A 45 -10.923 -1.088 -1.558 1.00 61.24 H new ATOM 774 N ASP A 46 -10.236 -7.302 -2.990 1.00 50.01 N ATOM 775 CA ASP A 46 -11.071 -8.182 -3.843 1.00 62.41 C ATOM 776 C ASP A 46 -12.425 -8.513 -3.152 1.00 24.31 C ATOM 777 O ASP A 46 -13.479 -8.312 -3.774 1.00 43.41 O ATOM 778 CB ASP A 46 -10.300 -9.463 -4.271 1.00 14.41 C ATOM 779 CG ASP A 46 -11.132 -10.404 -5.157 1.00 62.21 C ATOM 780 OD1 ASP A 46 -11.542 -9.988 -6.263 1.00 30.20 O ATOM 781 OD2 ASP A 46 -11.390 -11.560 -4.750 1.00 71.21 O ATOM 0 H ASP A 46 -9.374 -7.734 -2.658 1.00 50.01 H new ATOM 0 HA ASP A 46 -11.303 -7.637 -4.758 1.00 62.41 H new ATOM 0 HB2 ASP A 46 -9.397 -9.173 -4.808 1.00 14.41 H new ATOM 0 HB3 ASP A 46 -9.981 -10.002 -3.379 1.00 14.41 H new ATOM 786 N PRO A 47 -12.451 -8.984 -1.847 1.00 3.55 N ATOM 787 CA PRO A 47 -13.729 -9.147 -1.101 1.00 54.52 C ATOM 788 C PRO A 47 -14.384 -7.783 -0.784 1.00 22.33 C ATOM 789 O PRO A 47 -15.591 -7.699 -0.631 1.00 45.24 O ATOM 790 CB PRO A 47 -13.310 -9.894 0.188 1.00 0.53 C ATOM 791 CG PRO A 47 -11.873 -9.516 0.384 1.00 40.25 C ATOM 792 CD PRO A 47 -11.292 -9.426 -1.005 1.00 43.41 C ATOM 0 HA PRO A 47 -14.481 -9.690 -1.673 1.00 54.52 H new ATOM 0 HB2 PRO A 47 -13.920 -9.592 1.039 1.00 0.53 H new ATOM 0 HB3 PRO A 47 -13.426 -10.972 0.079 1.00 0.53 H new ATOM 0 HG2 PRO A 47 -11.785 -8.565 0.910 1.00 40.25 H new ATOM 0 HG3 PRO A 47 -11.348 -10.261 0.982 1.00 40.25 H new ATOM 0 HD2 PRO A 47 -10.469 -8.712 -1.050 1.00 43.41 H new ATOM 0 HD3 PRO A 47 -10.899 -10.387 -1.338 1.00 43.41 H new ATOM 800 N ILE A 48 -13.561 -6.717 -0.759 1.00 51.55 N ATOM 801 CA ILE A 48 -13.985 -5.342 -0.414 1.00 4.41 C ATOM 802 C ILE A 48 -14.766 -4.703 -1.591 1.00 30.25 C ATOM 803 O ILE A 48 -15.729 -3.955 -1.388 1.00 4.13 O ATOM 804 CB ILE A 48 -12.717 -4.488 -0.059 1.00 70.13 C ATOM 805 CG1 ILE A 48 -11.955 -5.092 1.173 1.00 55.43 C ATOM 806 CG2 ILE A 48 -13.018 -2.990 0.126 1.00 25.10 C ATOM 807 CD1 ILE A 48 -12.764 -5.229 2.447 1.00 45.21 C ATOM 0 H ILE A 48 -12.568 -6.786 -0.981 1.00 51.55 H new ATOM 0 HA ILE A 48 -14.650 -5.372 0.449 1.00 4.41 H new ATOM 0 HB ILE A 48 -12.057 -4.544 -0.924 1.00 70.13 H new ATOM 0 HG12 ILE A 48 -11.579 -6.077 0.896 1.00 55.43 H new ATOM 0 HG13 ILE A 48 -11.087 -4.466 1.382 1.00 55.43 H new ATOM 0 HG21 ILE A 48 -12.097 -2.461 0.369 1.00 25.10 H new ATOM 0 HG22 ILE A 48 -13.435 -2.586 -0.796 1.00 25.10 H new ATOM 0 HG23 ILE A 48 -13.736 -2.860 0.936 1.00 25.10 H new ATOM 0 HD11 ILE A 48 -12.139 -5.656 3.231 1.00 45.21 H new ATOM 0 HD12 ILE A 48 -13.118 -4.247 2.760 1.00 45.21 H new ATOM 0 HD13 ILE A 48 -13.618 -5.882 2.267 1.00 45.21 H new ATOM 819 N LYS A 49 -14.352 -5.045 -2.825 1.00 62.21 N ATOM 820 CA LYS A 49 -15.005 -4.578 -4.060 1.00 62.11 C ATOM 821 C LYS A 49 -16.231 -5.466 -4.377 1.00 51.32 C ATOM 822 O LYS A 49 -17.028 -5.131 -5.256 1.00 40.41 O ATOM 823 CB LYS A 49 -13.986 -4.519 -5.241 1.00 60.05 C ATOM 824 CG LYS A 49 -12.818 -3.506 -5.024 1.00 3.32 C ATOM 825 CD LYS A 49 -11.892 -3.320 -6.255 1.00 71.44 C ATOM 826 CE LYS A 49 -11.262 -4.626 -6.786 1.00 5.03 C ATOM 827 NZ LYS A 49 -10.267 -5.209 -5.848 1.00 0.31 N ATOM 0 H LYS A 49 -13.552 -5.655 -2.993 1.00 62.21 H new ATOM 0 HA LYS A 49 -15.367 -3.560 -3.913 1.00 62.11 H new ATOM 0 HB2 LYS A 49 -13.567 -5.513 -5.395 1.00 60.05 H new ATOM 0 HB3 LYS A 49 -14.519 -4.253 -6.154 1.00 60.05 H new ATOM 0 HG2 LYS A 49 -13.239 -2.538 -4.752 1.00 3.32 H new ATOM 0 HG3 LYS A 49 -12.216 -3.840 -4.179 1.00 3.32 H new ATOM 0 HD2 LYS A 49 -12.465 -2.855 -7.058 1.00 71.44 H new ATOM 0 HD3 LYS A 49 -11.093 -2.627 -5.991 1.00 71.44 H new ATOM 0 HE2 LYS A 49 -12.051 -5.355 -6.971 1.00 5.03 H new ATOM 0 HE3 LYS A 49 -10.780 -4.428 -7.743 1.00 5.03 H new ATOM 0 HZ1 LYS A 49 -9.326 -5.202 -6.292 1.00 0.31 H new ATOM 0 HZ2 LYS A 49 -10.242 -4.645 -4.974 1.00 0.31 H new ATOM 0 HZ3 LYS A 49 -10.536 -6.188 -5.621 1.00 0.31 H new ATOM 841 N LYS A 50 -16.342 -6.619 -3.666 1.00 55.10 N ATOM 842 CA LYS A 50 -17.579 -7.433 -3.584 1.00 32.22 C ATOM 843 C LYS A 50 -18.544 -6.809 -2.542 1.00 12.35 C ATOM 844 O LYS A 50 -19.770 -6.853 -2.712 1.00 64.11 O ATOM 845 CB LYS A 50 -17.233 -8.906 -3.194 1.00 55.24 C ATOM 846 CG LYS A 50 -18.458 -9.836 -2.952 1.00 73.35 C ATOM 847 CD LYS A 50 -18.072 -11.233 -2.400 1.00 41.40 C ATOM 848 CE LYS A 50 -17.264 -12.085 -3.391 1.00 13.14 C ATOM 849 NZ LYS A 50 -18.016 -12.381 -4.639 1.00 62.11 N ATOM 0 H LYS A 50 -15.568 -7.011 -3.130 1.00 55.10 H new ATOM 0 HA LYS A 50 -18.067 -7.442 -4.559 1.00 32.22 H new ATOM 0 HB2 LYS A 50 -16.620 -9.339 -3.984 1.00 55.24 H new ATOM 0 HB3 LYS A 50 -16.625 -8.892 -2.290 1.00 55.24 H new ATOM 0 HG2 LYS A 50 -19.139 -9.352 -2.252 1.00 73.35 H new ATOM 0 HG3 LYS A 50 -19.000 -9.961 -3.889 1.00 73.35 H new ATOM 0 HD2 LYS A 50 -17.492 -11.106 -1.486 1.00 41.40 H new ATOM 0 HD3 LYS A 50 -18.980 -11.771 -2.128 1.00 41.40 H new ATOM 0 HE2 LYS A 50 -16.340 -11.564 -3.643 1.00 13.14 H new ATOM 0 HE3 LYS A 50 -16.981 -13.022 -2.911 1.00 13.14 H new ATOM 0 HZ1 LYS A 50 -17.475 -13.053 -5.219 1.00 62.11 H new ATOM 0 HZ2 LYS A 50 -18.939 -12.796 -4.398 1.00 62.11 H new ATOM 0 HZ3 LYS A 50 -18.161 -11.501 -5.174 1.00 62.11 H new ATOM 863 N LEU A 51 -17.972 -6.199 -1.480 1.00 35.20 N ATOM 864 CA LEU A 51 -18.760 -5.529 -0.416 1.00 24.32 C ATOM 865 C LEU A 51 -19.338 -4.207 -0.951 1.00 40.02 C ATOM 866 O LEU A 51 -20.393 -3.750 -0.494 1.00 44.25 O ATOM 867 CB LEU A 51 -17.901 -5.282 0.860 1.00 42.30 C ATOM 868 CG LEU A 51 -17.396 -6.560 1.613 1.00 42.32 C ATOM 869 CD1 LEU A 51 -16.501 -6.189 2.813 1.00 52.43 C ATOM 870 CD2 LEU A 51 -18.563 -7.480 2.037 1.00 11.10 C ATOM 0 H LEU A 51 -16.963 -6.156 -1.335 1.00 35.20 H new ATOM 0 HA LEU A 51 -19.581 -6.187 -0.131 1.00 24.32 H new ATOM 0 HB2 LEU A 51 -17.033 -4.685 0.579 1.00 42.30 H new ATOM 0 HB3 LEU A 51 -18.487 -4.683 1.557 1.00 42.30 H new ATOM 0 HG LEU A 51 -16.785 -7.126 0.910 1.00 42.32 H new ATOM 0 HD11 LEU A 51 -16.168 -7.098 3.313 1.00 52.43 H new ATOM 0 HD12 LEU A 51 -15.634 -5.630 2.461 1.00 52.43 H new ATOM 0 HD13 LEU A 51 -17.068 -5.576 3.514 1.00 52.43 H new ATOM 0 HD21 LEU A 51 -18.168 -8.354 2.556 1.00 11.10 H new ATOM 0 HD22 LEU A 51 -19.233 -6.935 2.702 1.00 11.10 H new ATOM 0 HD23 LEU A 51 -19.113 -7.801 1.152 1.00 11.10 H new ATOM 882 N GLY A 52 -18.620 -3.607 -1.929 1.00 3.11 N ATOM 883 CA GLY A 52 -19.078 -2.414 -2.648 1.00 71.34 C ATOM 884 C GLY A 52 -19.141 -1.171 -1.780 1.00 31.22 C ATOM 885 O GLY A 52 -20.019 -0.320 -1.969 1.00 51.20 O ATOM 0 H GLY A 52 -17.707 -3.943 -2.236 1.00 3.11 H new ATOM 0 HA2 GLY A 52 -18.410 -2.227 -3.488 1.00 71.34 H new ATOM 0 HA3 GLY A 52 -20.067 -2.607 -3.064 1.00 71.34 H new ATOM 889 N CYS A 53 -18.222 -1.092 -0.806 1.00 64.22 N ATOM 890 CA CYS A 53 -18.085 0.072 0.070 1.00 54.43 C ATOM 891 C CYS A 53 -17.581 1.277 -0.751 1.00 24.12 C ATOM 892 O CYS A 53 -16.430 1.292 -1.209 1.00 22.52 O ATOM 893 CB CYS A 53 -17.152 -0.277 1.251 1.00 12.52 C ATOM 894 SG CYS A 53 -15.726 -1.304 0.787 1.00 74.31 S ATOM 0 H CYS A 53 -17.554 -1.837 -0.607 1.00 64.22 H new ATOM 0 HA CYS A 53 -19.051 0.349 0.493 1.00 54.43 H new ATOM 0 HB2 CYS A 53 -16.790 0.648 1.700 1.00 12.52 H new ATOM 0 HB3 CYS A 53 -17.729 -0.798 2.015 1.00 12.52 H new ATOM 899 N LYS A 54 -18.485 2.271 -0.937 1.00 14.10 N ATOM 900 CA LYS A 54 -18.282 3.434 -1.832 1.00 41.44 C ATOM 901 C LYS A 54 -17.099 4.312 -1.406 1.00 2.42 C ATOM 902 O LYS A 54 -16.568 5.073 -2.213 1.00 1.50 O ATOM 903 CB LYS A 54 -19.588 4.265 -1.937 1.00 44.13 C ATOM 904 CG LYS A 54 -20.805 3.460 -2.462 1.00 62.11 C ATOM 905 CD LYS A 54 -22.118 4.289 -2.559 1.00 72.21 C ATOM 906 CE LYS A 54 -22.206 5.217 -3.792 1.00 12.21 C ATOM 907 NZ LYS A 54 -21.119 6.238 -3.859 1.00 25.15 N ATOM 0 H LYS A 54 -19.388 2.286 -0.462 1.00 14.10 H new ATOM 0 HA LYS A 54 -18.031 3.043 -2.818 1.00 41.44 H new ATOM 0 HB2 LYS A 54 -19.829 4.670 -0.954 1.00 44.13 H new ATOM 0 HB3 LYS A 54 -19.414 5.114 -2.598 1.00 44.13 H new ATOM 0 HG2 LYS A 54 -20.566 3.061 -3.448 1.00 62.11 H new ATOM 0 HG3 LYS A 54 -20.974 2.607 -1.805 1.00 62.11 H new ATOM 0 HD2 LYS A 54 -22.965 3.603 -2.577 1.00 72.21 H new ATOM 0 HD3 LYS A 54 -22.217 4.894 -1.658 1.00 72.21 H new ATOM 0 HE2 LYS A 54 -22.176 4.608 -4.696 1.00 12.21 H new ATOM 0 HE3 LYS A 54 -23.170 5.726 -3.783 1.00 12.21 H new ATOM 0 HZ1 LYS A 54 -21.471 7.089 -4.343 1.00 25.15 H new ATOM 0 HZ2 LYS A 54 -20.817 6.488 -2.896 1.00 25.15 H new ATOM 0 HZ3 LYS A 54 -20.310 5.850 -4.385 1.00 25.15 H new ATOM 921 N ARG A 55 -16.697 4.197 -0.136 1.00 5.10 N ATOM 922 CA ARG A 55 -15.496 4.847 0.398 1.00 30.25 C ATOM 923 C ARG A 55 -14.745 3.840 1.276 1.00 74.22 C ATOM 924 O ARG A 55 -15.356 3.197 2.138 1.00 3.31 O ATOM 925 CB ARG A 55 -15.866 6.086 1.255 1.00 64.10 C ATOM 926 CG ARG A 55 -14.659 6.987 1.630 1.00 52.51 C ATOM 927 CD ARG A 55 -14.958 7.922 2.814 1.00 32.35 C ATOM 928 NE ARG A 55 -15.094 7.160 4.067 1.00 11.55 N ATOM 929 CZ ARG A 55 -15.835 7.515 5.128 1.00 32.44 C ATOM 930 NH1 ARG A 55 -16.543 8.643 5.125 1.00 11.43 N ATOM 931 NH2 ARG A 55 -15.848 6.732 6.197 1.00 55.22 N ATOM 0 H ARG A 55 -17.202 3.644 0.557 1.00 5.10 H new ATOM 0 HA ARG A 55 -14.875 5.177 -0.435 1.00 30.25 H new ATOM 0 HB2 ARG A 55 -16.596 6.685 0.711 1.00 64.10 H new ATOM 0 HB3 ARG A 55 -16.351 5.748 2.171 1.00 64.10 H new ATOM 0 HG2 ARG A 55 -13.804 6.357 1.877 1.00 52.51 H new ATOM 0 HG3 ARG A 55 -14.375 7.585 0.764 1.00 52.51 H new ATOM 0 HD2 ARG A 55 -14.157 8.655 2.915 1.00 32.35 H new ATOM 0 HD3 ARG A 55 -15.876 8.478 2.621 1.00 32.35 H new ATOM 0 HE ARG A 55 -14.578 6.283 4.134 1.00 11.55 H new ATOM 0 HH11 ARG A 55 -16.528 9.253 4.307 1.00 11.43 H new ATOM 0 HH12 ARG A 55 -17.101 8.897 5.940 1.00 11.43 H new ATOM 0 HH21 ARG A 55 -15.299 5.872 6.206 1.00 55.22 H new ATOM 0 HH22 ARG A 55 -16.407 6.989 7.011 1.00 55.22 H new ATOM 945 N VAL A 56 -13.433 3.705 1.058 1.00 33.11 N ATOM 946 CA VAL A 56 -12.550 2.889 1.911 1.00 62.33 C ATOM 947 C VAL A 56 -11.392 3.765 2.421 1.00 71.41 C ATOM 948 O VAL A 56 -10.843 4.576 1.669 1.00 61.31 O ATOM 949 CB VAL A 56 -11.993 1.623 1.147 1.00 53.20 C ATOM 950 CG1 VAL A 56 -13.141 0.682 0.718 1.00 11.32 C ATOM 951 CG2 VAL A 56 -11.128 2.017 -0.071 1.00 62.33 C ATOM 0 H VAL A 56 -12.948 4.158 0.284 1.00 33.11 H new ATOM 0 HA VAL A 56 -13.133 2.518 2.754 1.00 62.33 H new ATOM 0 HB VAL A 56 -11.351 1.087 1.846 1.00 53.20 H new ATOM 0 HG11 VAL A 56 -12.728 -0.180 0.195 1.00 11.32 H new ATOM 0 HG12 VAL A 56 -13.684 0.345 1.601 1.00 11.32 H new ATOM 0 HG13 VAL A 56 -13.822 1.217 0.056 1.00 11.32 H new ATOM 0 HG21 VAL A 56 -10.766 1.116 -0.567 1.00 62.33 H new ATOM 0 HG22 VAL A 56 -11.728 2.600 -0.770 1.00 62.33 H new ATOM 0 HG23 VAL A 56 -10.279 2.613 0.263 1.00 62.33 H new ATOM 961 N ARG A 57 -11.054 3.632 3.709 1.00 55.03 N ATOM 962 CA ARG A 57 -9.927 4.358 4.317 1.00 73.31 C ATOM 963 C ARG A 57 -8.786 3.362 4.549 1.00 63.04 C ATOM 964 O ARG A 57 -8.865 2.525 5.453 1.00 61.00 O ATOM 965 CB ARG A 57 -10.373 5.022 5.653 1.00 25.43 C ATOM 966 CG ARG A 57 -9.311 5.952 6.286 1.00 52.25 C ATOM 967 CD ARG A 57 -9.777 6.605 7.604 1.00 21.13 C ATOM 968 NE ARG A 57 -8.779 7.560 8.140 1.00 34.25 N ATOM 969 CZ ARG A 57 -8.566 7.817 9.446 1.00 23.11 C ATOM 970 NH1 ARG A 57 -9.265 7.197 10.395 1.00 62.14 N ATOM 971 NH2 ARG A 57 -7.659 8.717 9.795 1.00 52.02 N ATOM 0 H ARG A 57 -11.550 3.022 4.359 1.00 55.03 H new ATOM 0 HA ARG A 57 -9.586 5.154 3.655 1.00 73.31 H new ATOM 0 HB2 ARG A 57 -11.282 5.596 5.474 1.00 25.43 H new ATOM 0 HB3 ARG A 57 -10.626 4.239 6.368 1.00 25.43 H new ATOM 0 HG2 ARG A 57 -8.403 5.379 6.474 1.00 52.25 H new ATOM 0 HG3 ARG A 57 -9.052 6.735 5.573 1.00 52.25 H new ATOM 0 HD2 ARG A 57 -10.720 7.124 7.436 1.00 21.13 H new ATOM 0 HD3 ARG A 57 -9.968 5.828 8.344 1.00 21.13 H new ATOM 0 HE ARG A 57 -8.205 8.065 7.465 1.00 34.25 H new ATOM 0 HH11 ARG A 57 -9.977 6.513 10.139 1.00 62.14 H new ATOM 0 HH12 ARG A 57 -9.088 7.406 11.378 1.00 62.14 H new ATOM 0 HH21 ARG A 57 -7.127 9.210 9.078 1.00 52.02 H new ATOM 0 HH22 ARG A 57 -7.492 8.917 10.781 1.00 52.02 H new ATOM 985 N ILE A 58 -7.742 3.438 3.709 1.00 24.55 N ATOM 986 CA ILE A 58 -6.607 2.495 3.741 1.00 24.12 C ATOM 987 C ILE A 58 -5.365 3.206 4.317 1.00 21.11 C ATOM 988 O ILE A 58 -4.749 3.996 3.625 1.00 40.11 O ATOM 989 CB ILE A 58 -6.281 1.960 2.287 1.00 34.43 C ATOM 990 CG1 ILE A 58 -7.574 1.464 1.563 1.00 34.13 C ATOM 991 CG2 ILE A 58 -5.208 0.842 2.333 1.00 2.11 C ATOM 992 CD1 ILE A 58 -7.367 1.050 0.114 1.00 32.23 C ATOM 0 H ILE A 58 -7.658 4.154 2.987 1.00 24.55 H new ATOM 0 HA ILE A 58 -6.876 1.648 4.371 1.00 24.12 H new ATOM 0 HB ILE A 58 -5.876 2.792 1.711 1.00 34.43 H new ATOM 0 HG12 ILE A 58 -7.982 0.617 2.115 1.00 34.13 H new ATOM 0 HG13 ILE A 58 -8.321 2.257 1.598 1.00 34.13 H new ATOM 0 HG21 ILE A 58 -5.003 0.493 1.321 1.00 2.11 H new ATOM 0 HG22 ILE A 58 -4.292 1.235 2.774 1.00 2.11 H new ATOM 0 HG23 ILE A 58 -5.574 0.011 2.937 1.00 2.11 H new ATOM 0 HD11 ILE A 58 -8.316 0.720 -0.309 1.00 32.23 H new ATOM 0 HD12 ILE A 58 -6.991 1.899 -0.457 1.00 32.23 H new ATOM 0 HD13 ILE A 58 -6.646 0.234 0.068 1.00 32.23 H new ATOM 1004 N SER A 59 -5.001 2.930 5.577 1.00 44.43 N ATOM 1005 CA SER A 59 -3.786 3.473 6.195 1.00 45.14 C ATOM 1006 C SER A 59 -2.678 2.411 6.099 1.00 11.25 C ATOM 1007 O SER A 59 -2.709 1.399 6.814 1.00 44.31 O ATOM 1008 CB SER A 59 -4.069 3.857 7.667 1.00 20.21 C ATOM 1009 OG SER A 59 -5.177 4.742 7.764 1.00 64.22 O ATOM 0 H SER A 59 -5.541 2.324 6.195 1.00 44.43 H new ATOM 0 HA SER A 59 -3.463 4.375 5.676 1.00 45.14 H new ATOM 0 HB2 SER A 59 -4.267 2.957 8.249 1.00 20.21 H new ATOM 0 HB3 SER A 59 -3.186 4.327 8.099 1.00 20.21 H new ATOM 0 HG SER A 59 -5.335 4.967 8.705 1.00 64.22 H new ATOM 1015 N ILE A 60 -1.734 2.628 5.175 1.00 20.41 N ATOM 1016 CA ILE A 60 -0.600 1.722 4.934 1.00 10.10 C ATOM 1017 C ILE A 60 0.640 2.238 5.672 1.00 24.23 C ATOM 1018 O ILE A 60 1.203 3.265 5.300 1.00 0.12 O ATOM 1019 CB ILE A 60 -0.294 1.593 3.396 1.00 0.41 C ATOM 1020 CG1 ILE A 60 -1.509 0.972 2.649 1.00 42.42 C ATOM 1021 CG2 ILE A 60 1.005 0.782 3.131 1.00 21.02 C ATOM 1022 CD1 ILE A 60 -1.354 0.899 1.142 1.00 52.33 C ATOM 0 H ILE A 60 -1.734 3.446 4.566 1.00 20.41 H new ATOM 0 HA ILE A 60 -0.864 0.734 5.311 1.00 10.10 H new ATOM 0 HB ILE A 60 -0.127 2.597 3.005 1.00 0.41 H new ATOM 0 HG12 ILE A 60 -1.679 -0.034 3.033 1.00 42.42 H new ATOM 0 HG13 ILE A 60 -2.399 1.557 2.882 1.00 42.42 H new ATOM 0 HG21 ILE A 60 1.180 0.716 2.057 1.00 21.02 H new ATOM 0 HG22 ILE A 60 1.849 1.281 3.606 1.00 21.02 H new ATOM 0 HG23 ILE A 60 0.898 -0.221 3.543 1.00 21.02 H new ATOM 0 HD11 ILE A 60 -2.248 0.453 0.706 1.00 52.33 H new ATOM 0 HD12 ILE A 60 -1.217 1.903 0.741 1.00 52.33 H new ATOM 0 HD13 ILE A 60 -0.486 0.288 0.895 1.00 52.33 H new ATOM 1034 N ARG A 61 1.065 1.527 6.722 1.00 21.35 N ATOM 1035 CA ARG A 61 2.291 1.863 7.452 1.00 71.24 C ATOM 1036 C ARG A 61 3.393 0.949 6.921 1.00 31.23 C ATOM 1037 O ARG A 61 3.382 -0.262 7.175 1.00 44.34 O ATOM 1038 CB ARG A 61 2.109 1.708 8.983 1.00 35.54 C ATOM 1039 CG ARG A 61 0.898 2.471 9.569 1.00 33.20 C ATOM 1040 CD ARG A 61 1.019 2.714 11.084 1.00 33.44 C ATOM 1041 NE ARG A 61 1.211 1.466 11.857 1.00 11.52 N ATOM 1042 CZ ARG A 61 2.275 1.189 12.636 1.00 41.52 C ATOM 1043 NH1 ARG A 61 3.283 2.054 12.761 1.00 34.14 N ATOM 1044 NH2 ARG A 61 2.324 0.037 13.287 1.00 74.13 N ATOM 0 H ARG A 61 0.574 0.711 7.087 1.00 21.35 H new ATOM 0 HA ARG A 61 2.553 2.909 7.292 1.00 71.24 H new ATOM 0 HB2 ARG A 61 2.002 0.649 9.217 1.00 35.54 H new ATOM 0 HB3 ARG A 61 3.015 2.055 9.480 1.00 35.54 H new ATOM 0 HG2 ARG A 61 0.798 3.429 9.059 1.00 33.20 H new ATOM 0 HG3 ARG A 61 -0.012 1.906 9.368 1.00 33.20 H new ATOM 0 HD2 ARG A 61 1.857 3.384 11.273 1.00 33.44 H new ATOM 0 HD3 ARG A 61 0.121 3.220 11.438 1.00 33.44 H new ATOM 0 HE ARG A 61 0.479 0.759 11.795 1.00 11.52 H new ATOM 0 HH11 ARG A 61 3.257 2.943 12.262 1.00 34.14 H new ATOM 0 HH12 ARG A 61 4.080 1.826 13.356 1.00 34.14 H new ATOM 0 HH21 ARG A 61 1.560 -0.633 13.197 1.00 74.13 H new ATOM 0 HH22 ARG A 61 3.126 -0.181 13.879 1.00 74.13 H new ATOM 1058 N VAL A 62 4.318 1.524 6.150 1.00 25.51 N ATOM 1059 CA VAL A 62 5.338 0.757 5.427 1.00 52.02 C ATOM 1060 C VAL A 62 6.623 0.696 6.279 1.00 32.43 C ATOM 1061 O VAL A 62 7.007 1.700 6.900 1.00 60.53 O ATOM 1062 CB VAL A 62 5.602 1.397 4.000 1.00 52.22 C ATOM 1063 CG1 VAL A 62 6.392 2.729 4.054 1.00 31.51 C ATOM 1064 CG2 VAL A 62 6.289 0.392 3.068 1.00 72.13 C ATOM 0 H VAL A 62 4.382 2.532 6.008 1.00 25.51 H new ATOM 0 HA VAL A 62 4.989 -0.262 5.260 1.00 52.02 H new ATOM 0 HB VAL A 62 4.621 1.644 3.595 1.00 52.22 H new ATOM 0 HG11 VAL A 62 6.535 3.108 3.042 1.00 31.51 H new ATOM 0 HG12 VAL A 62 5.834 3.459 4.640 1.00 31.51 H new ATOM 0 HG13 VAL A 62 7.363 2.557 4.518 1.00 31.51 H new ATOM 0 HG21 VAL A 62 6.459 0.855 2.096 1.00 72.13 H new ATOM 0 HG22 VAL A 62 7.244 0.090 3.498 1.00 72.13 H new ATOM 0 HG23 VAL A 62 5.653 -0.485 2.946 1.00 72.13 H new ATOM 1074 N LYS A 63 7.267 -0.489 6.346 1.00 24.21 N ATOM 1075 CA LYS A 63 8.451 -0.679 7.192 1.00 64.11 C ATOM 1076 C LYS A 63 9.694 -0.167 6.456 1.00 0.54 C ATOM 1077 O LYS A 63 10.032 -0.643 5.365 1.00 22.43 O ATOM 1078 CB LYS A 63 8.621 -2.160 7.627 1.00 13.44 C ATOM 1079 CG LYS A 63 9.847 -2.415 8.549 1.00 71.22 C ATOM 1080 CD LYS A 63 9.800 -3.776 9.290 1.00 22.25 C ATOM 1081 CE LYS A 63 8.627 -3.870 10.291 1.00 11.02 C ATOM 1082 NZ LYS A 63 8.687 -5.102 11.129 1.00 23.23 N ATOM 0 H LYS A 63 6.985 -1.320 5.826 1.00 24.21 H new ATOM 0 HA LYS A 63 8.317 -0.102 8.107 1.00 64.11 H new ATOM 0 HB2 LYS A 63 7.717 -2.481 8.145 1.00 13.44 H new ATOM 0 HB3 LYS A 63 8.715 -2.781 6.736 1.00 13.44 H new ATOM 0 HG2 LYS A 63 10.756 -2.369 7.950 1.00 71.22 H new ATOM 0 HG3 LYS A 63 9.910 -1.613 9.285 1.00 71.22 H new ATOM 0 HD2 LYS A 63 9.714 -4.580 8.559 1.00 22.25 H new ATOM 0 HD3 LYS A 63 10.739 -3.928 9.822 1.00 22.25 H new ATOM 0 HE2 LYS A 63 8.636 -2.993 10.939 1.00 11.02 H new ATOM 0 HE3 LYS A 63 7.685 -3.853 9.744 1.00 11.02 H new ATOM 0 HZ1 LYS A 63 7.799 -5.204 11.660 1.00 23.23 H new ATOM 0 HZ2 LYS A 63 8.822 -5.932 10.517 1.00 23.23 H new ATOM 0 HZ3 LYS A 63 9.482 -5.030 11.795 1.00 23.23 H new ATOM 1096 N HIS A 64 10.332 0.834 7.064 1.00 32.34 N ATOM 1097 CA HIS A 64 11.571 1.450 6.578 1.00 62.12 C ATOM 1098 C HIS A 64 12.764 0.607 7.049 1.00 22.00 C ATOM 1099 O HIS A 64 12.690 -0.046 8.102 1.00 65.34 O ATOM 1100 CB HIS A 64 11.656 2.903 7.110 1.00 55.12 C ATOM 1101 CG HIS A 64 10.415 3.717 6.794 1.00 40.12 C ATOM 1102 ND1 HIS A 64 9.364 3.860 7.675 1.00 60.22 N ATOM 1103 CD2 HIS A 64 10.051 4.399 5.679 1.00 73.45 C ATOM 1104 CE1 HIS A 64 8.417 4.586 7.120 1.00 71.24 C ATOM 1105 NE2 HIS A 64 8.806 4.929 5.910 1.00 21.11 N ATOM 0 H HIS A 64 9.994 1.251 7.931 1.00 32.34 H new ATOM 0 HA HIS A 64 11.585 1.485 5.489 1.00 62.12 H new ATOM 0 HB2 HIS A 64 11.806 2.882 8.189 1.00 55.12 H new ATOM 0 HB3 HIS A 64 12.527 3.394 6.676 1.00 55.12 H new ATOM 0 HD2 HIS A 64 10.634 4.505 4.776 1.00 73.45 H new ATOM 0 HE1 HIS A 64 7.478 4.855 7.580 1.00 71.24 H new ATOM 0 HE2 HIS A 64 8.270 5.495 5.252 1.00 21.11 H new ATOM 1114 N SER A 65 13.846 0.619 6.261 1.00 52.20 N ATOM 1115 CA SER A 65 15.010 -0.255 6.486 1.00 41.43 C ATOM 1116 C SER A 65 15.743 0.083 7.803 1.00 23.22 C ATOM 1117 O SER A 65 15.959 -0.791 8.648 1.00 52.34 O ATOM 1118 CB SER A 65 15.973 -0.154 5.285 1.00 41.11 C ATOM 1119 OG SER A 65 17.046 -1.066 5.416 1.00 74.32 O ATOM 0 H SER A 65 13.942 1.232 5.451 1.00 52.20 H new ATOM 0 HA SER A 65 14.650 -1.280 6.578 1.00 41.43 H new ATOM 0 HB2 SER A 65 15.430 -0.356 4.362 1.00 41.11 H new ATOM 0 HB3 SER A 65 16.362 0.862 5.211 1.00 41.11 H new ATOM 0 HG SER A 65 17.762 -0.655 5.943 1.00 74.32 H new ATOM 1125 N ASP A 66 16.093 1.363 7.960 1.00 13.51 N ATOM 1126 CA ASP A 66 16.910 1.872 9.087 1.00 40.53 C ATOM 1127 C ASP A 66 16.355 3.236 9.530 1.00 71.33 C ATOM 1128 O ASP A 66 15.340 3.701 8.987 1.00 2.42 O ATOM 1129 CB ASP A 66 18.407 2.019 8.671 1.00 62.15 C ATOM 1130 CG ASP A 66 19.081 0.705 8.238 1.00 4.33 C ATOM 1131 OD1 ASP A 66 19.566 -0.050 9.110 1.00 4.21 O ATOM 1132 OD2 ASP A 66 19.129 0.421 7.020 1.00 55.41 O ATOM 0 H ASP A 66 15.817 2.093 7.303 1.00 13.51 H new ATOM 0 HA ASP A 66 16.858 1.161 9.911 1.00 40.53 H new ATOM 0 HB2 ASP A 66 18.475 2.735 7.852 1.00 62.15 H new ATOM 0 HB3 ASP A 66 18.964 2.440 9.508 1.00 62.15 H new ATOM 1137 N ALA A 67 17.041 3.875 10.493 1.00 62.25 N ATOM 1138 CA ALA A 67 16.630 5.171 11.067 1.00 73.32 C ATOM 1139 C ALA A 67 16.794 6.322 10.052 1.00 34.23 C ATOM 1140 O ALA A 67 15.845 7.058 9.780 1.00 64.44 O ATOM 1141 CB ALA A 67 17.421 5.443 12.353 1.00 13.14 C ATOM 0 H ALA A 67 17.901 3.506 10.898 1.00 62.25 H new ATOM 0 HA ALA A 67 15.569 5.118 11.312 1.00 73.32 H new ATOM 0 HB1 ALA A 67 17.114 6.401 12.773 1.00 13.14 H new ATOM 0 HB2 ALA A 67 17.225 4.650 13.075 1.00 13.14 H new ATOM 0 HB3 ALA A 67 18.487 5.471 12.126 1.00 13.14 H new ATOM 1147 N ALA A 68 18.006 6.466 9.491 1.00 1.22 N ATOM 1148 CA ALA A 68 18.287 7.454 8.425 1.00 14.34 C ATOM 1149 C ALA A 68 17.618 7.025 7.105 1.00 51.11 C ATOM 1150 O ALA A 68 17.343 7.854 6.233 1.00 12.13 O ATOM 1151 CB ALA A 68 19.804 7.633 8.244 1.00 31.14 C ATOM 0 H ALA A 68 18.816 5.907 9.758 1.00 1.22 H new ATOM 0 HA ALA A 68 17.867 8.416 8.720 1.00 14.34 H new ATOM 0 HB1 ALA A 68 19.993 8.363 7.457 1.00 31.14 H new ATOM 0 HB2 ALA A 68 20.243 7.985 9.178 1.00 31.14 H new ATOM 0 HB3 ALA A 68 20.253 6.678 7.969 1.00 31.14 H new ATOM 1157 N GLU A 69 17.354 5.716 6.979 1.00 5.44 N ATOM 1158 CA GLU A 69 16.616 5.148 5.843 1.00 64.43 C ATOM 1159 C GLU A 69 15.099 5.396 5.942 1.00 14.03 C ATOM 1160 O GLU A 69 14.396 5.090 5.004 1.00 13.13 O ATOM 1161 CB GLU A 69 16.932 3.649 5.650 1.00 71.50 C ATOM 1162 CG GLU A 69 18.380 3.353 5.214 1.00 34.24 C ATOM 1163 CD GLU A 69 18.730 3.942 3.831 1.00 54.12 C ATOM 1164 OE1 GLU A 69 18.392 3.309 2.806 1.00 22.42 O ATOM 1165 OE2 GLU A 69 19.343 5.041 3.764 1.00 2.12 O ATOM 0 H GLU A 69 17.648 5.020 7.665 1.00 5.44 H new ATOM 0 HA GLU A 69 16.962 5.676 4.954 1.00 64.43 H new ATOM 0 HB2 GLU A 69 16.733 3.125 6.585 1.00 71.50 H new ATOM 0 HB3 GLU A 69 16.250 3.240 4.904 1.00 71.50 H new ATOM 0 HG2 GLU A 69 19.067 3.757 5.958 1.00 34.24 H new ATOM 0 HG3 GLU A 69 18.533 2.274 5.192 1.00 34.24 H new ATOM 1172 N GLU A 70 14.582 5.870 7.096 1.00 73.02 N ATOM 1173 CA GLU A 70 13.151 6.263 7.208 1.00 74.14 C ATOM 1174 C GLU A 70 12.792 7.340 6.167 1.00 34.13 C ATOM 1175 O GLU A 70 11.847 7.168 5.395 1.00 34.55 O ATOM 1176 CB GLU A 70 12.792 6.749 8.632 1.00 11.32 C ATOM 1177 CG GLU A 70 12.802 5.654 9.709 1.00 42.34 C ATOM 1178 CD GLU A 70 12.533 6.212 11.116 1.00 22.23 C ATOM 1179 OE1 GLU A 70 11.346 6.401 11.474 1.00 32.24 O ATOM 1180 OE2 GLU A 70 13.501 6.472 11.864 1.00 12.02 O ATOM 0 H GLU A 70 15.120 5.991 7.954 1.00 73.02 H new ATOM 0 HA GLU A 70 12.559 5.370 7.006 1.00 74.14 H new ATOM 0 HB2 GLU A 70 13.495 7.530 8.922 1.00 11.32 H new ATOM 0 HB3 GLU A 70 11.802 7.204 8.606 1.00 11.32 H new ATOM 0 HG2 GLU A 70 12.048 4.905 9.468 1.00 42.34 H new ATOM 0 HG3 GLU A 70 13.768 5.149 9.700 1.00 42.34 H new ATOM 1187 N LYS A 71 13.591 8.422 6.128 1.00 60.10 N ATOM 1188 CA LYS A 71 13.386 9.541 5.189 1.00 4.34 C ATOM 1189 C LYS A 71 13.751 9.133 3.743 1.00 73.44 C ATOM 1190 O LYS A 71 13.142 9.625 2.785 1.00 61.11 O ATOM 1191 CB LYS A 71 14.203 10.780 5.651 1.00 10.34 C ATOM 1192 CG LYS A 71 15.744 10.594 5.630 1.00 34.41 C ATOM 1193 CD LYS A 71 16.515 11.710 6.369 1.00 33.24 C ATOM 1194 CE LYS A 71 16.197 13.126 5.856 1.00 64.24 C ATOM 1195 NZ LYS A 71 16.514 13.300 4.410 1.00 65.04 N ATOM 0 H LYS A 71 14.394 8.545 6.744 1.00 60.10 H new ATOM 0 HA LYS A 71 12.329 9.806 5.191 1.00 4.34 H new ATOM 0 HB2 LYS A 71 13.945 11.625 5.013 1.00 10.34 H new ATOM 0 HB3 LYS A 71 13.897 11.041 6.664 1.00 10.34 H new ATOM 0 HG2 LYS A 71 15.991 9.633 6.082 1.00 34.41 H new ATOM 0 HG3 LYS A 71 16.082 10.555 4.595 1.00 34.41 H new ATOM 0 HD2 LYS A 71 16.282 11.658 7.432 1.00 33.24 H new ATOM 0 HD3 LYS A 71 17.585 11.528 6.268 1.00 33.24 H new ATOM 0 HE2 LYS A 71 15.141 13.338 6.020 1.00 64.24 H new ATOM 0 HE3 LYS A 71 16.763 13.854 6.438 1.00 64.24 H new ATOM 0 HZ1 LYS A 71 16.281 14.270 4.118 1.00 65.04 H new ATOM 0 HZ2 LYS A 71 17.527 13.125 4.253 1.00 65.04 H new ATOM 0 HZ3 LYS A 71 15.956 12.626 3.849 1.00 65.04 H new ATOM 1209 N LYS A 72 14.725 8.208 3.609 1.00 60.30 N ATOM 1210 CA LYS A 72 15.174 7.688 2.305 1.00 41.21 C ATOM 1211 C LYS A 72 14.047 6.862 1.664 1.00 44.22 C ATOM 1212 O LYS A 72 13.527 7.222 0.613 1.00 22.11 O ATOM 1213 CB LYS A 72 16.446 6.814 2.489 1.00 54.34 C ATOM 1214 CG LYS A 72 17.122 6.325 1.179 1.00 21.42 C ATOM 1215 CD LYS A 72 17.837 7.453 0.393 1.00 1.34 C ATOM 1216 CE LYS A 72 18.968 8.133 1.201 1.00 64.23 C ATOM 1217 NZ LYS A 72 19.998 7.171 1.684 1.00 54.15 N ATOM 0 H LYS A 72 15.220 7.802 4.403 1.00 60.30 H new ATOM 0 HA LYS A 72 15.419 8.523 1.649 1.00 41.21 H new ATOM 0 HB2 LYS A 72 17.177 7.385 3.062 1.00 54.34 H new ATOM 0 HB3 LYS A 72 16.182 5.942 3.087 1.00 54.34 H new ATOM 0 HG2 LYS A 72 17.846 5.547 1.422 1.00 21.42 H new ATOM 0 HG3 LYS A 72 16.367 5.869 0.538 1.00 21.42 H new ATOM 0 HD2 LYS A 72 18.253 7.040 -0.526 1.00 1.34 H new ATOM 0 HD3 LYS A 72 17.104 8.205 0.101 1.00 1.34 H new ATOM 0 HE2 LYS A 72 19.448 8.888 0.579 1.00 64.23 H new ATOM 0 HE3 LYS A 72 18.535 8.652 2.056 1.00 64.23 H new ATOM 0 HZ1 LYS A 72 20.787 7.694 2.114 1.00 54.15 H new ATOM 0 HZ2 LYS A 72 19.576 6.537 2.392 1.00 54.15 H new ATOM 0 HZ3 LYS A 72 20.351 6.609 0.883 1.00 54.15 H new ATOM 1231 N GLU A 73 13.650 5.791 2.376 1.00 35.33 N ATOM 1232 CA GLU A 73 12.569 4.875 1.975 1.00 73.31 C ATOM 1233 C GLU A 73 11.191 5.560 1.993 1.00 41.02 C ATOM 1234 O GLU A 73 10.244 5.003 1.451 1.00 53.34 O ATOM 1235 CB GLU A 73 12.545 3.611 2.891 1.00 14.22 C ATOM 1236 CG GLU A 73 13.825 2.740 2.862 1.00 12.32 C ATOM 1237 CD GLU A 73 14.025 1.984 1.532 1.00 11.24 C ATOM 1238 OE1 GLU A 73 14.649 2.534 0.602 1.00 62.42 O ATOM 1239 OE2 GLU A 73 13.561 0.826 1.415 1.00 72.33 O ATOM 0 H GLU A 73 14.081 5.534 3.264 1.00 35.33 H new ATOM 0 HA GLU A 73 12.777 4.572 0.949 1.00 73.31 H new ATOM 0 HB2 GLU A 73 12.368 3.932 3.918 1.00 14.22 H new ATOM 0 HB3 GLU A 73 11.698 2.990 2.601 1.00 14.22 H new ATOM 0 HG2 GLU A 73 14.692 3.376 3.043 1.00 12.32 H new ATOM 0 HG3 GLU A 73 13.783 2.019 3.678 1.00 12.32 H new ATOM 1246 N ALA A 74 11.057 6.740 2.638 1.00 71.44 N ATOM 1247 CA ALA A 74 9.815 7.524 2.565 1.00 71.31 C ATOM 1248 C ALA A 74 9.564 7.970 1.117 1.00 50.03 C ATOM 1249 O ALA A 74 8.594 7.546 0.505 1.00 1.12 O ATOM 1250 CB ALA A 74 9.872 8.742 3.498 1.00 74.02 C ATOM 0 H ALA A 74 11.789 7.163 3.209 1.00 71.44 H new ATOM 0 HA ALA A 74 8.990 6.892 2.893 1.00 71.31 H new ATOM 0 HB1 ALA A 74 8.940 9.302 3.422 1.00 74.02 H new ATOM 0 HB2 ALA A 74 10.012 8.407 4.526 1.00 74.02 H new ATOM 0 HB3 ALA A 74 10.705 9.383 3.209 1.00 74.02 H new ATOM 1256 N LYS A 75 10.499 8.783 0.585 1.00 2.11 N ATOM 1257 CA LYS A 75 10.432 9.331 -0.785 1.00 63.43 C ATOM 1258 C LYS A 75 10.629 8.226 -1.854 1.00 20.33 C ATOM 1259 O LYS A 75 9.945 8.213 -2.883 1.00 25.02 O ATOM 1260 CB LYS A 75 11.510 10.447 -0.939 1.00 35.14 C ATOM 1261 CG LYS A 75 11.445 11.260 -2.258 1.00 52.42 C ATOM 1262 CD LYS A 75 10.133 12.066 -2.401 1.00 12.03 C ATOM 1263 CE LYS A 75 10.086 12.922 -3.680 1.00 62.43 C ATOM 1264 NZ LYS A 75 10.102 12.104 -4.923 1.00 31.22 N ATOM 0 H LYS A 75 11.329 9.080 1.098 1.00 2.11 H new ATOM 0 HA LYS A 75 9.440 9.754 -0.945 1.00 63.43 H new ATOM 0 HB2 LYS A 75 11.415 11.138 -0.101 1.00 35.14 H new ATOM 0 HB3 LYS A 75 12.496 9.989 -0.863 1.00 35.14 H new ATOM 0 HG2 LYS A 75 12.293 11.944 -2.300 1.00 52.42 H new ATOM 0 HG3 LYS A 75 11.542 10.580 -3.104 1.00 52.42 H new ATOM 0 HD2 LYS A 75 9.288 11.377 -2.401 1.00 12.03 H new ATOM 0 HD3 LYS A 75 10.015 12.714 -1.533 1.00 12.03 H new ATOM 0 HE2 LYS A 75 9.186 13.537 -3.667 1.00 62.43 H new ATOM 0 HE3 LYS A 75 10.937 13.603 -3.688 1.00 62.43 H new ATOM 0 HZ1 LYS A 75 10.035 12.730 -5.751 1.00 31.22 H new ATOM 0 HZ2 LYS A 75 10.988 11.561 -4.970 1.00 31.22 H new ATOM 0 HZ3 LYS A 75 9.295 11.449 -4.918 1.00 31.22 H new ATOM 1278 N LYS A 76 11.559 7.302 -1.584 1.00 14.40 N ATOM 1279 CA LYS A 76 11.934 6.215 -2.511 1.00 30.50 C ATOM 1280 C LYS A 76 10.786 5.201 -2.706 1.00 12.12 C ATOM 1281 O LYS A 76 10.407 4.899 -3.847 1.00 0.10 O ATOM 1282 CB LYS A 76 13.223 5.532 -1.993 1.00 72.24 C ATOM 1283 CG LYS A 76 13.692 4.293 -2.783 1.00 71.12 C ATOM 1284 CD LYS A 76 15.147 3.907 -2.424 1.00 73.13 C ATOM 1285 CE LYS A 76 15.563 2.539 -2.966 1.00 21.32 C ATOM 1286 NZ LYS A 76 14.815 1.442 -2.306 1.00 33.01 N ATOM 0 H LYS A 76 12.081 7.283 -0.708 1.00 14.40 H new ATOM 0 HA LYS A 76 12.128 6.641 -3.495 1.00 30.50 H new ATOM 0 HB2 LYS A 76 14.028 6.267 -1.997 1.00 72.24 H new ATOM 0 HB3 LYS A 76 13.064 5.239 -0.955 1.00 72.24 H new ATOM 0 HG2 LYS A 76 13.029 3.454 -2.572 1.00 71.12 H new ATOM 0 HG3 LYS A 76 13.621 4.494 -3.852 1.00 71.12 H new ATOM 0 HD2 LYS A 76 15.824 4.666 -2.816 1.00 73.13 H new ATOM 0 HD3 LYS A 76 15.259 3.909 -1.340 1.00 73.13 H new ATOM 0 HE2 LYS A 76 15.388 2.504 -4.041 1.00 21.32 H new ATOM 0 HE3 LYS A 76 16.632 2.395 -2.812 1.00 21.32 H new ATOM 0 HZ1 LYS A 76 15.355 0.557 -2.385 1.00 33.01 H new ATOM 0 HZ2 LYS A 76 14.674 1.673 -1.302 1.00 33.01 H new ATOM 0 HZ3 LYS A 76 13.890 1.325 -2.768 1.00 33.01 H new ATOM 1300 N PHE A 77 10.215 4.699 -1.597 1.00 3.41 N ATOM 1301 CA PHE A 77 9.074 3.760 -1.657 1.00 3.02 C ATOM 1302 C PHE A 77 7.774 4.523 -2.013 1.00 32.51 C ATOM 1303 O PHE A 77 6.801 3.905 -2.446 1.00 24.35 O ATOM 1304 CB PHE A 77 8.928 2.939 -0.340 1.00 61.44 C ATOM 1305 CG PHE A 77 8.209 1.594 -0.507 1.00 63.15 C ATOM 1306 CD1 PHE A 77 8.920 0.430 -0.819 1.00 74.35 C ATOM 1307 CD2 PHE A 77 6.826 1.488 -0.375 1.00 23.32 C ATOM 1308 CE1 PHE A 77 8.273 -0.785 -0.971 1.00 72.45 C ATOM 1309 CE2 PHE A 77 6.183 0.272 -0.527 1.00 22.24 C ATOM 1310 CZ PHE A 77 6.904 -0.859 -0.831 1.00 40.34 C ATOM 0 H PHE A 77 10.521 4.925 -0.651 1.00 3.41 H new ATOM 0 HA PHE A 77 9.269 3.035 -2.448 1.00 3.02 H new ATOM 0 HB2 PHE A 77 9.921 2.758 0.072 1.00 61.44 H new ATOM 0 HB3 PHE A 77 8.384 3.539 0.390 1.00 61.44 H new ATOM 0 HD1 PHE A 77 9.992 0.480 -0.943 1.00 74.35 H new ATOM 0 HD2 PHE A 77 6.245 2.370 -0.150 1.00 23.32 H new ATOM 0 HE1 PHE A 77 8.841 -1.675 -1.199 1.00 72.45 H new ATOM 0 HE2 PHE A 77 5.111 0.211 -0.406 1.00 22.24 H new ATOM 0 HZ PHE A 77 6.398 -1.804 -0.960 1.00 40.34 H new ATOM 1320 N ALA A 78 7.761 5.866 -1.795 1.00 62.34 N ATOM 1321 CA ALA A 78 6.656 6.741 -2.261 1.00 31.22 C ATOM 1322 C ALA A 78 6.473 6.640 -3.776 1.00 51.43 C ATOM 1323 O ALA A 78 5.350 6.678 -4.257 1.00 2.53 O ATOM 1324 CB ALA A 78 6.878 8.206 -1.877 1.00 43.32 C ATOM 0 H ALA A 78 8.502 6.363 -1.301 1.00 62.34 H new ATOM 0 HA ALA A 78 5.754 6.387 -1.762 1.00 31.22 H new ATOM 0 HB1 ALA A 78 6.044 8.807 -2.239 1.00 43.32 H new ATOM 0 HB2 ALA A 78 6.943 8.292 -0.792 1.00 43.32 H new ATOM 0 HB3 ALA A 78 7.805 8.563 -2.326 1.00 43.32 H new ATOM 1330 N ALA A 79 7.597 6.531 -4.512 1.00 4.55 N ATOM 1331 CA ALA A 79 7.590 6.334 -5.971 1.00 45.31 C ATOM 1332 C ALA A 79 6.942 4.991 -6.333 1.00 43.24 C ATOM 1333 O ALA A 79 6.078 4.929 -7.203 1.00 53.01 O ATOM 1334 CB ALA A 79 9.021 6.403 -6.519 1.00 23.42 C ATOM 0 H ALA A 79 8.533 6.577 -4.110 1.00 4.55 H new ATOM 0 HA ALA A 79 7.001 7.130 -6.426 1.00 45.31 H new ATOM 0 HB1 ALA A 79 9.005 6.256 -7.599 1.00 23.42 H new ATOM 0 HB2 ALA A 79 9.451 7.379 -6.292 1.00 23.42 H new ATOM 0 HB3 ALA A 79 9.626 5.623 -6.056 1.00 23.42 H new ATOM 1340 N ILE A 80 7.348 3.938 -5.598 1.00 52.54 N ATOM 1341 CA ILE A 80 6.870 2.561 -5.802 1.00 25.42 C ATOM 1342 C ILE A 80 5.344 2.484 -5.577 1.00 41.41 C ATOM 1343 O ILE A 80 4.623 1.946 -6.411 1.00 21.22 O ATOM 1344 CB ILE A 80 7.645 1.566 -4.848 1.00 35.10 C ATOM 1345 CG1 ILE A 80 9.181 1.624 -5.136 1.00 61.11 C ATOM 1346 CG2 ILE A 80 7.124 0.116 -4.959 1.00 24.11 C ATOM 1347 CD1 ILE A 80 9.577 1.287 -6.573 1.00 3.12 C ATOM 0 H ILE A 80 8.024 4.022 -4.839 1.00 52.54 H new ATOM 0 HA ILE A 80 7.071 2.264 -6.831 1.00 25.42 H new ATOM 0 HB ILE A 80 7.460 1.891 -3.824 1.00 35.10 H new ATOM 0 HG12 ILE A 80 9.543 2.624 -4.899 1.00 61.11 H new ATOM 0 HG13 ILE A 80 9.689 0.934 -4.463 1.00 61.11 H new ATOM 0 HG21 ILE A 80 7.689 -0.526 -4.284 1.00 24.11 H new ATOM 0 HG22 ILE A 80 6.068 0.087 -4.689 1.00 24.11 H new ATOM 0 HG23 ILE A 80 7.246 -0.237 -5.983 1.00 24.11 H new ATOM 0 HD11 ILE A 80 10.660 1.353 -6.677 1.00 3.12 H new ATOM 0 HD12 ILE A 80 9.251 0.275 -6.812 1.00 3.12 H new ATOM 0 HD13 ILE A 80 9.103 1.992 -7.256 1.00 3.12 H new ATOM 1359 N LEU A 81 4.870 3.113 -4.482 1.00 63.51 N ATOM 1360 CA LEU A 81 3.436 3.164 -4.122 1.00 73.53 C ATOM 1361 C LEU A 81 2.639 4.050 -5.106 1.00 75.25 C ATOM 1362 O LEU A 81 1.550 3.664 -5.522 1.00 73.22 O ATOM 1363 CB LEU A 81 3.268 3.677 -2.658 1.00 24.04 C ATOM 1364 CG LEU A 81 3.532 2.629 -1.531 1.00 44.34 C ATOM 1365 CD1 LEU A 81 3.580 3.293 -0.143 1.00 71.34 C ATOM 1366 CD2 LEU A 81 2.476 1.496 -1.555 1.00 41.53 C ATOM 0 H LEU A 81 5.472 3.602 -3.820 1.00 63.51 H new ATOM 0 HA LEU A 81 3.033 2.153 -4.190 1.00 73.53 H new ATOM 0 HB2 LEU A 81 3.944 4.519 -2.509 1.00 24.04 H new ATOM 0 HB3 LEU A 81 2.253 4.058 -2.542 1.00 24.04 H new ATOM 0 HG LEU A 81 4.509 2.187 -1.727 1.00 44.34 H new ATOM 0 HD11 LEU A 81 3.765 2.534 0.617 1.00 71.34 H new ATOM 0 HD12 LEU A 81 4.381 4.032 -0.121 1.00 71.34 H new ATOM 0 HD13 LEU A 81 2.628 3.784 0.059 1.00 71.34 H new ATOM 0 HD21 LEU A 81 2.689 0.783 -0.758 1.00 41.53 H new ATOM 0 HD22 LEU A 81 1.483 1.921 -1.407 1.00 41.53 H new ATOM 0 HD23 LEU A 81 2.512 0.985 -2.517 1.00 41.53 H new ATOM 1378 N ASN A 82 3.221 5.211 -5.488 1.00 13.45 N ATOM 1379 CA ASN A 82 2.576 6.224 -6.371 1.00 0.50 C ATOM 1380 C ASN A 82 2.150 5.589 -7.700 1.00 61.41 C ATOM 1381 O ASN A 82 1.037 5.818 -8.193 1.00 4.24 O ATOM 1382 CB ASN A 82 3.565 7.397 -6.652 1.00 2.53 C ATOM 1383 CG ASN A 82 2.984 8.517 -7.521 1.00 1.22 C ATOM 1384 OD1 ASN A 82 1.800 8.844 -7.436 1.00 12.12 O ATOM 1385 ND2 ASN A 82 3.812 9.104 -8.376 1.00 3.33 N ATOM 0 H ASN A 82 4.160 5.478 -5.192 1.00 13.45 H new ATOM 0 HA ASN A 82 1.692 6.607 -5.862 1.00 0.50 H new ATOM 0 HB2 ASN A 82 3.887 7.821 -5.701 1.00 2.53 H new ATOM 0 HB3 ASN A 82 4.454 6.998 -7.140 1.00 2.53 H new ATOM 0 HD21 ASN A 82 3.472 9.848 -8.986 1.00 3.33 H new ATOM 0 HD22 ASN A 82 4.788 8.811 -8.423 1.00 3.33 H new ATOM 1392 N LYS A 83 3.058 4.760 -8.242 1.00 4.33 N ATOM 1393 CA LYS A 83 2.847 4.047 -9.505 1.00 25.42 C ATOM 1394 C LYS A 83 1.750 2.984 -9.353 1.00 73.31 C ATOM 1395 O LYS A 83 0.877 2.886 -10.200 1.00 2.04 O ATOM 1396 CB LYS A 83 4.162 3.392 -9.989 1.00 34.35 C ATOM 1397 CG LYS A 83 5.345 4.372 -10.181 1.00 42.22 C ATOM 1398 CD LYS A 83 5.036 5.534 -11.152 1.00 10.01 C ATOM 1399 CE LYS A 83 6.183 6.558 -11.234 1.00 54.13 C ATOM 1400 NZ LYS A 83 7.453 5.964 -11.732 1.00 3.15 N ATOM 0 H LYS A 83 3.962 4.567 -7.811 1.00 4.33 H new ATOM 0 HA LYS A 83 2.525 4.773 -10.252 1.00 25.42 H new ATOM 0 HB2 LYS A 83 4.456 2.627 -9.271 1.00 34.35 H new ATOM 0 HB3 LYS A 83 3.972 2.885 -10.935 1.00 34.35 H new ATOM 0 HG2 LYS A 83 5.625 4.785 -9.212 1.00 42.22 H new ATOM 0 HG3 LYS A 83 6.207 3.819 -10.553 1.00 42.22 H new ATOM 0 HD2 LYS A 83 4.842 5.130 -12.146 1.00 10.01 H new ATOM 0 HD3 LYS A 83 4.125 6.039 -10.830 1.00 10.01 H new ATOM 0 HE2 LYS A 83 5.887 7.376 -11.892 1.00 54.13 H new ATOM 0 HE3 LYS A 83 6.351 6.988 -10.247 1.00 54.13 H new ATOM 0 HZ1 LYS A 83 8.180 6.705 -11.799 1.00 3.15 H new ATOM 0 HZ2 LYS A 83 7.772 5.224 -11.074 1.00 3.15 H new ATOM 0 HZ3 LYS A 83 7.296 5.547 -12.672 1.00 3.15 H new ATOM 1414 N VAL A 84 1.776 2.252 -8.221 1.00 52.45 N ATOM 1415 CA VAL A 84 0.848 1.133 -7.950 1.00 31.45 C ATOM 1416 C VAL A 84 -0.593 1.644 -7.851 1.00 1.15 C ATOM 1417 O VAL A 84 -1.497 1.099 -8.483 1.00 2.13 O ATOM 1418 CB VAL A 84 1.253 0.380 -6.625 1.00 11.02 C ATOM 1419 CG1 VAL A 84 0.166 -0.617 -6.144 1.00 73.12 C ATOM 1420 CG2 VAL A 84 2.601 -0.334 -6.828 1.00 2.40 C ATOM 0 H VAL A 84 2.442 2.420 -7.467 1.00 52.45 H new ATOM 0 HA VAL A 84 0.913 0.429 -8.779 1.00 31.45 H new ATOM 0 HB VAL A 84 1.350 1.128 -5.838 1.00 11.02 H new ATOM 0 HG11 VAL A 84 0.500 -1.106 -5.229 1.00 73.12 H new ATOM 0 HG12 VAL A 84 -0.762 -0.078 -5.950 1.00 73.12 H new ATOM 0 HG13 VAL A 84 -0.005 -1.369 -6.915 1.00 73.12 H new ATOM 0 HG21 VAL A 84 2.879 -0.854 -5.911 1.00 2.40 H new ATOM 0 HG22 VAL A 84 2.512 -1.055 -7.641 1.00 2.40 H new ATOM 0 HG23 VAL A 84 3.368 0.400 -7.076 1.00 2.40 H new ATOM 1430 N PHE A 85 -0.767 2.719 -7.068 1.00 51.11 N ATOM 1431 CA PHE A 85 -2.061 3.389 -6.894 1.00 61.35 C ATOM 1432 C PHE A 85 -2.572 3.931 -8.243 1.00 43.43 C ATOM 1433 O PHE A 85 -3.745 3.766 -8.564 1.00 63.53 O ATOM 1434 CB PHE A 85 -1.956 4.510 -5.821 1.00 44.43 C ATOM 1435 CG PHE A 85 -1.615 3.987 -4.417 1.00 34.02 C ATOM 1436 CD1 PHE A 85 -2.278 2.875 -3.883 1.00 34.34 C ATOM 1437 CD2 PHE A 85 -0.641 4.601 -3.629 1.00 12.51 C ATOM 1438 CE1 PHE A 85 -1.969 2.401 -2.620 1.00 4.44 C ATOM 1439 CE2 PHE A 85 -0.336 4.123 -2.371 1.00 74.04 C ATOM 1440 CZ PHE A 85 -0.996 3.025 -1.868 1.00 51.03 C ATOM 0 H PHE A 85 -0.010 3.149 -6.536 1.00 51.11 H new ATOM 0 HA PHE A 85 -2.790 2.662 -6.535 1.00 61.35 H new ATOM 0 HB2 PHE A 85 -1.193 5.225 -6.128 1.00 44.43 H new ATOM 0 HB3 PHE A 85 -2.902 5.051 -5.779 1.00 44.43 H new ATOM 0 HD1 PHE A 85 -3.041 2.380 -4.465 1.00 34.34 H new ATOM 0 HD2 PHE A 85 -0.117 5.465 -4.010 1.00 12.51 H new ATOM 0 HE1 PHE A 85 -2.490 1.542 -2.223 1.00 4.44 H new ATOM 0 HE2 PHE A 85 0.423 4.612 -1.779 1.00 74.04 H new ATOM 0 HZ PHE A 85 -0.752 2.652 -0.884 1.00 51.03 H new ATOM 1450 N ALA A 86 -1.658 4.509 -9.043 1.00 70.43 N ATOM 1451 CA ALA A 86 -1.963 5.012 -10.403 1.00 42.34 C ATOM 1452 C ALA A 86 -2.319 3.859 -11.378 1.00 24.34 C ATOM 1453 O ALA A 86 -3.019 4.076 -12.373 1.00 61.32 O ATOM 1454 CB ALA A 86 -0.776 5.830 -10.941 1.00 33.12 C ATOM 0 H ALA A 86 -0.685 4.643 -8.768 1.00 70.43 H new ATOM 0 HA ALA A 86 -2.839 5.657 -10.332 1.00 42.34 H new ATOM 0 HB1 ALA A 86 -1.009 6.195 -11.941 1.00 33.12 H new ATOM 0 HB2 ALA A 86 -0.588 6.676 -10.280 1.00 33.12 H new ATOM 0 HB3 ALA A 86 0.111 5.199 -10.984 1.00 33.12 H new ATOM 1460 N GLU A 87 -1.818 2.640 -11.085 1.00 73.53 N ATOM 1461 CA GLU A 87 -2.113 1.411 -11.865 1.00 1.53 C ATOM 1462 C GLU A 87 -3.415 0.737 -11.375 1.00 21.10 C ATOM 1463 O GLU A 87 -3.908 -0.197 -12.012 1.00 53.21 O ATOM 1464 CB GLU A 87 -0.921 0.407 -11.766 1.00 31.30 C ATOM 1465 CG GLU A 87 0.379 0.858 -12.468 1.00 75.35 C ATOM 1466 CD GLU A 87 1.548 -0.119 -12.254 1.00 45.20 C ATOM 1467 OE1 GLU A 87 1.681 -1.086 -13.045 1.00 60.30 O ATOM 1468 OE2 GLU A 87 2.324 0.054 -11.283 1.00 10.34 O ATOM 0 H GLU A 87 -1.193 2.476 -10.296 1.00 73.53 H new ATOM 0 HA GLU A 87 -2.251 1.700 -12.907 1.00 1.53 H new ATOM 0 HB2 GLU A 87 -0.703 0.229 -10.713 1.00 31.30 H new ATOM 0 HB3 GLU A 87 -1.233 -0.546 -12.192 1.00 31.30 H new ATOM 0 HG2 GLU A 87 0.191 0.962 -13.537 1.00 75.35 H new ATOM 0 HG3 GLU A 87 0.663 1.843 -12.097 1.00 75.35 H new ATOM 1475 N LEU A 88 -3.963 1.206 -10.238 1.00 32.53 N ATOM 1476 CA LEU A 88 -5.195 0.638 -9.634 1.00 0.21 C ATOM 1477 C LEU A 88 -6.402 1.579 -9.848 1.00 34.03 C ATOM 1478 O LEU A 88 -7.552 1.125 -9.845 1.00 63.43 O ATOM 1479 CB LEU A 88 -4.983 0.342 -8.118 1.00 60.34 C ATOM 1480 CG LEU A 88 -3.935 -0.771 -7.761 1.00 10.13 C ATOM 1481 CD1 LEU A 88 -3.772 -0.924 -6.232 1.00 53.11 C ATOM 1482 CD2 LEU A 88 -4.289 -2.125 -8.423 1.00 3.21 C ATOM 0 H LEU A 88 -3.570 1.986 -9.710 1.00 32.53 H new ATOM 0 HA LEU A 88 -5.412 -0.305 -10.136 1.00 0.21 H new ATOM 0 HB2 LEU A 88 -4.678 1.267 -7.629 1.00 60.34 H new ATOM 0 HB3 LEU A 88 -5.943 0.057 -7.689 1.00 60.34 H new ATOM 0 HG LEU A 88 -2.976 -0.450 -8.167 1.00 10.13 H new ATOM 0 HD11 LEU A 88 -3.039 -1.703 -6.020 1.00 53.11 H new ATOM 0 HD12 LEU A 88 -3.432 0.020 -5.806 1.00 53.11 H new ATOM 0 HD13 LEU A 88 -4.730 -1.197 -5.790 1.00 53.11 H new ATOM 0 HD21 LEU A 88 -3.540 -2.869 -8.152 1.00 3.21 H new ATOM 0 HD22 LEU A 88 -5.269 -2.454 -8.077 1.00 3.21 H new ATOM 0 HD23 LEU A 88 -4.307 -2.007 -9.506 1.00 3.21 H new ATOM 1494 N GLY A 89 -6.130 2.888 -10.024 1.00 51.52 N ATOM 1495 CA GLY A 89 -7.175 3.897 -10.282 1.00 44.41 C ATOM 1496 C GLY A 89 -7.296 4.951 -9.182 1.00 53.13 C ATOM 1497 O GLY A 89 -8.319 5.635 -9.084 1.00 34.43 O ATOM 0 H GLY A 89 -5.186 3.273 -9.991 1.00 51.52 H new ATOM 0 HA2 GLY A 89 -6.961 4.395 -11.228 1.00 44.41 H new ATOM 0 HA3 GLY A 89 -8.134 3.392 -10.397 1.00 44.41 H new ATOM 1501 N TYR A 90 -6.264 5.064 -8.331 1.00 30.44 N ATOM 1502 CA TYR A 90 -6.158 6.124 -7.308 1.00 34.32 C ATOM 1503 C TYR A 90 -5.133 7.162 -7.803 1.00 13.23 C ATOM 1504 O TYR A 90 -3.991 6.803 -8.114 1.00 74.21 O ATOM 1505 CB TYR A 90 -5.707 5.535 -5.939 1.00 70.42 C ATOM 1506 CG TYR A 90 -6.395 4.216 -5.554 1.00 1.54 C ATOM 1507 CD1 TYR A 90 -7.789 4.111 -5.496 1.00 43.02 C ATOM 1508 CD2 TYR A 90 -5.644 3.071 -5.249 1.00 53.53 C ATOM 1509 CE1 TYR A 90 -8.402 2.914 -5.169 1.00 50.44 C ATOM 1510 CE2 TYR A 90 -6.254 1.877 -4.925 1.00 53.34 C ATOM 1511 CZ TYR A 90 -7.629 1.805 -4.876 1.00 22.24 C ATOM 1512 OH TYR A 90 -8.236 0.612 -4.559 1.00 22.11 O ATOM 0 H TYR A 90 -5.473 4.420 -8.331 1.00 30.44 H new ATOM 0 HA TYR A 90 -7.132 6.590 -7.159 1.00 34.32 H new ATOM 0 HB2 TYR A 90 -4.629 5.374 -5.965 1.00 70.42 H new ATOM 0 HB3 TYR A 90 -5.901 6.272 -5.159 1.00 70.42 H new ATOM 0 HD1 TYR A 90 -8.396 4.978 -5.710 1.00 43.02 H new ATOM 0 HD2 TYR A 90 -4.566 3.126 -5.268 1.00 53.53 H new ATOM 0 HE1 TYR A 90 -9.480 2.846 -5.143 1.00 50.44 H new ATOM 0 HE2 TYR A 90 -5.657 1.003 -4.711 1.00 53.34 H new ATOM 0 HH TYR A 90 -8.141 0.442 -3.599 1.00 22.11 H new ATOM 1522 N ASN A 91 -5.527 8.440 -7.859 1.00 33.40 N ATOM 1523 CA ASN A 91 -4.724 9.502 -8.506 1.00 42.42 C ATOM 1524 C ASN A 91 -4.434 10.653 -7.515 1.00 62.21 C ATOM 1525 O ASN A 91 -5.309 11.476 -7.258 1.00 33.13 O ATOM 1526 CB ASN A 91 -5.455 10.049 -9.765 1.00 33.42 C ATOM 1527 CG ASN A 91 -5.707 8.987 -10.841 1.00 51.44 C ATOM 1528 OD1 ASN A 91 -6.753 8.334 -10.859 1.00 30.52 O ATOM 1529 ND2 ASN A 91 -4.752 8.796 -11.737 1.00 24.11 N ATOM 0 H ASN A 91 -6.405 8.773 -7.461 1.00 33.40 H new ATOM 0 HA ASN A 91 -3.774 9.066 -8.815 1.00 42.42 H new ATOM 0 HB2 ASN A 91 -6.409 10.480 -9.462 1.00 33.42 H new ATOM 0 HB3 ASN A 91 -4.863 10.857 -10.196 1.00 33.42 H new ATOM 0 HD21 ASN A 91 -4.871 8.094 -12.467 1.00 24.11 H new ATOM 0 HD22 ASN A 91 -3.897 9.351 -11.697 1.00 24.11 H new ATOM 1536 N ASP A 92 -3.226 10.620 -6.908 1.00 5.11 N ATOM 1537 CA ASP A 92 -2.594 11.763 -6.182 1.00 15.43 C ATOM 1538 C ASP A 92 -3.370 12.220 -4.917 1.00 52.35 C ATOM 1539 O ASP A 92 -2.911 11.998 -3.795 1.00 2.31 O ATOM 1540 CB ASP A 92 -2.350 12.972 -7.136 1.00 3.50 C ATOM 1541 CG ASP A 92 -1.278 12.693 -8.205 1.00 55.33 C ATOM 1542 OD1 ASP A 92 -0.075 12.730 -7.868 1.00 55.24 O ATOM 1543 OD2 ASP A 92 -1.627 12.428 -9.376 1.00 23.10 O ATOM 0 H ASP A 92 -2.644 9.782 -6.905 1.00 5.11 H new ATOM 0 HA ASP A 92 -1.636 11.382 -5.828 1.00 15.43 H new ATOM 0 HB2 ASP A 92 -3.287 13.233 -7.629 1.00 3.50 H new ATOM 0 HB3 ASP A 92 -2.049 13.838 -6.546 1.00 3.50 H new ATOM 1548 N SER A 93 -4.530 12.874 -5.125 1.00 1.50 N ATOM 1549 CA SER A 93 -5.400 13.429 -4.057 1.00 33.03 C ATOM 1550 C SER A 93 -5.845 12.355 -3.039 1.00 11.11 C ATOM 1551 O SER A 93 -6.091 12.661 -1.867 1.00 54.43 O ATOM 1552 CB SER A 93 -6.643 14.070 -4.719 1.00 20.12 C ATOM 1553 OG SER A 93 -6.272 14.967 -5.759 1.00 64.32 O ATOM 0 H SER A 93 -4.901 13.037 -6.061 1.00 1.50 H new ATOM 0 HA SER A 93 -4.826 14.172 -3.503 1.00 33.03 H new ATOM 0 HB2 SER A 93 -7.286 13.288 -5.123 1.00 20.12 H new ATOM 0 HB3 SER A 93 -7.224 14.603 -3.966 1.00 20.12 H new ATOM 0 HG SER A 93 -7.078 15.355 -6.159 1.00 64.32 H new ATOM 1559 N ASN A 94 -5.971 11.110 -3.523 1.00 64.32 N ATOM 1560 CA ASN A 94 -6.312 9.943 -2.688 1.00 41.03 C ATOM 1561 C ASN A 94 -5.185 9.634 -1.684 1.00 10.11 C ATOM 1562 O ASN A 94 -5.438 9.341 -0.516 1.00 3.24 O ATOM 1563 CB ASN A 94 -6.548 8.703 -3.591 1.00 70.41 C ATOM 1564 CG ASN A 94 -7.579 8.955 -4.695 1.00 74.42 C ATOM 1565 OD1 ASN A 94 -7.236 9.440 -5.770 1.00 31.11 O ATOM 1566 ND2 ASN A 94 -8.841 8.651 -4.447 1.00 75.22 N ATOM 0 H ASN A 94 -5.839 10.881 -4.508 1.00 64.32 H new ATOM 0 HA ASN A 94 -7.220 10.176 -2.132 1.00 41.03 H new ATOM 0 HB2 ASN A 94 -5.603 8.406 -4.045 1.00 70.41 H new ATOM 0 HB3 ASN A 94 -6.881 7.869 -2.974 1.00 70.41 H new ATOM 0 HD21 ASN A 94 -9.555 8.818 -5.156 1.00 75.22 H new ATOM 0 HD22 ASN A 94 -9.101 8.249 -3.546 1.00 75.22 H new ATOM 1573 N VAL A 95 -3.943 9.771 -2.169 1.00 32.43 N ATOM 1574 CA VAL A 95 -2.719 9.293 -1.504 1.00 31.21 C ATOM 1575 C VAL A 95 -2.107 10.415 -0.640 1.00 31.22 C ATOM 1576 O VAL A 95 -1.573 11.378 -1.186 1.00 75.03 O ATOM 1577 CB VAL A 95 -1.686 8.829 -2.611 1.00 60.50 C ATOM 1578 CG1 VAL A 95 -0.392 8.239 -2.003 1.00 21.43 C ATOM 1579 CG2 VAL A 95 -2.354 7.835 -3.599 1.00 61.53 C ATOM 0 H VAL A 95 -3.755 10.230 -3.060 1.00 32.43 H new ATOM 0 HA VAL A 95 -2.960 8.454 -0.851 1.00 31.21 H new ATOM 0 HB VAL A 95 -1.386 9.717 -3.167 1.00 60.50 H new ATOM 0 HG11 VAL A 95 0.282 7.937 -2.805 1.00 21.43 H new ATOM 0 HG12 VAL A 95 0.095 8.992 -1.384 1.00 21.43 H new ATOM 0 HG13 VAL A 95 -0.640 7.372 -1.391 1.00 21.43 H new ATOM 0 HG21 VAL A 95 -1.628 7.528 -4.352 1.00 61.53 H new ATOM 0 HG22 VAL A 95 -2.703 6.959 -3.053 1.00 61.53 H new ATOM 0 HG23 VAL A 95 -3.200 8.320 -4.087 1.00 61.53 H new ATOM 1589 N THR A 96 -2.220 10.310 0.697 1.00 4.14 N ATOM 1590 CA THR A 96 -1.650 11.304 1.635 1.00 65.54 C ATOM 1591 C THR A 96 -0.705 10.613 2.632 1.00 22.35 C ATOM 1592 O THR A 96 -1.102 9.652 3.276 1.00 34.22 O ATOM 1593 CB THR A 96 -2.786 12.042 2.420 1.00 53.31 C ATOM 1594 OG1 THR A 96 -3.720 12.619 1.491 1.00 11.25 O ATOM 1595 CG2 THR A 96 -2.225 13.146 3.348 1.00 63.45 C ATOM 0 H THR A 96 -2.705 9.540 1.158 1.00 4.14 H new ATOM 0 HA THR A 96 -1.091 12.036 1.053 1.00 65.54 H new ATOM 0 HB THR A 96 -3.288 11.305 3.047 1.00 53.31 H new ATOM 0 HG1 THR A 96 -4.431 13.079 1.985 1.00 11.25 H new ATOM 0 HG21 THR A 96 -3.047 13.632 3.873 1.00 63.45 H new ATOM 0 HG22 THR A 96 -1.544 12.700 4.073 1.00 63.45 H new ATOM 0 HG23 THR A 96 -1.688 13.884 2.752 1.00 63.45 H new ATOM 1603 N TRP A 97 0.541 11.106 2.746 1.00 31.24 N ATOM 1604 CA TRP A 97 1.513 10.613 3.745 1.00 62.54 C ATOM 1605 C TRP A 97 1.390 11.413 5.059 1.00 74.15 C ATOM 1606 O TRP A 97 1.089 12.614 5.041 1.00 73.42 O ATOM 1607 CB TRP A 97 2.956 10.691 3.178 1.00 25.33 C ATOM 1608 CG TRP A 97 3.236 9.678 2.081 1.00 2.42 C ATOM 1609 CD1 TRP A 97 2.792 9.708 0.779 1.00 71.21 C ATOM 1610 CD2 TRP A 97 4.021 8.476 2.201 1.00 52.23 C ATOM 1611 NE1 TRP A 97 3.261 8.611 0.095 1.00 31.20 N ATOM 1612 CE2 TRP A 97 4.014 7.841 0.947 1.00 44.15 C ATOM 1613 CE3 TRP A 97 4.728 7.879 3.251 1.00 35.14 C ATOM 1614 CZ2 TRP A 97 4.688 6.646 0.716 1.00 52.34 C ATOM 1615 CZ3 TRP A 97 5.396 6.688 3.020 1.00 23.20 C ATOM 1616 CH2 TRP A 97 5.372 6.083 1.760 1.00 53.11 C ATOM 0 H TRP A 97 0.903 11.853 2.153 1.00 31.24 H new ATOM 0 HA TRP A 97 1.290 9.569 3.964 1.00 62.54 H new ATOM 0 HB2 TRP A 97 3.130 11.694 2.788 1.00 25.33 H new ATOM 0 HB3 TRP A 97 3.665 10.538 3.991 1.00 25.33 H new ATOM 0 HD1 TRP A 97 2.167 10.480 0.356 1.00 71.21 H new ATOM 0 HE1 TRP A 97 3.079 8.403 -0.887 1.00 31.20 H new ATOM 0 HE3 TRP A 97 4.752 8.340 4.227 1.00 35.14 H new ATOM 0 HZ2 TRP A 97 4.672 6.177 -0.257 1.00 52.34 H new ATOM 0 HZ3 TRP A 97 5.943 6.220 3.825 1.00 23.20 H new ATOM 0 HH2 TRP A 97 5.903 5.155 1.607 1.00 53.11 H new ATOM 1627 N ASP A 98 1.643 10.727 6.185 1.00 15.51 N ATOM 1628 CA ASP A 98 1.543 11.282 7.542 1.00 42.45 C ATOM 1629 C ASP A 98 2.434 10.446 8.502 1.00 42.41 C ATOM 1630 O ASP A 98 2.065 9.350 8.944 1.00 30.03 O ATOM 1631 CB ASP A 98 0.052 11.356 8.019 1.00 65.03 C ATOM 1632 CG ASP A 98 -0.715 10.005 8.006 1.00 13.24 C ATOM 1633 OD1 ASP A 98 -1.019 9.484 6.907 1.00 24.11 O ATOM 1634 OD2 ASP A 98 -1.035 9.473 9.097 1.00 10.52 O ATOM 0 H ASP A 98 1.929 9.748 6.176 1.00 15.51 H new ATOM 0 HA ASP A 98 1.909 12.309 7.543 1.00 42.45 H new ATOM 0 HB2 ASP A 98 0.031 11.758 9.032 1.00 65.03 H new ATOM 0 HB3 ASP A 98 -0.481 12.064 7.384 1.00 65.03 H new ATOM 1639 N GLY A 99 3.652 10.967 8.761 1.00 53.32 N ATOM 1640 CA GLY A 99 4.629 10.321 9.645 1.00 0.14 C ATOM 1641 C GLY A 99 5.351 9.149 8.981 1.00 64.15 C ATOM 1642 O GLY A 99 6.304 9.347 8.219 1.00 34.31 O ATOM 0 H GLY A 99 3.980 11.846 8.361 1.00 53.32 H new ATOM 0 HA2 GLY A 99 5.364 11.059 9.966 1.00 0.14 H new ATOM 0 HA3 GLY A 99 4.121 9.967 10.542 1.00 0.14 H new ATOM 1646 N ASP A 100 4.895 7.925 9.286 1.00 43.34 N ATOM 1647 CA ASP A 100 5.419 6.661 8.698 1.00 53.34 C ATOM 1648 C ASP A 100 4.363 6.029 7.771 1.00 23.13 C ATOM 1649 O ASP A 100 4.626 5.046 7.070 1.00 53.53 O ATOM 1650 CB ASP A 100 5.777 5.661 9.837 1.00 42.12 C ATOM 1651 CG ASP A 100 4.540 5.132 10.605 1.00 4.35 C ATOM 1652 OD1 ASP A 100 3.818 5.947 11.214 1.00 71.31 O ATOM 1653 OD2 ASP A 100 4.295 3.906 10.617 1.00 43.51 O ATOM 0 H ASP A 100 4.142 7.772 9.956 1.00 43.34 H new ATOM 0 HA ASP A 100 6.313 6.886 8.117 1.00 53.34 H new ATOM 0 HB2 ASP A 100 6.319 4.817 9.411 1.00 42.12 H new ATOM 0 HB3 ASP A 100 6.450 6.150 10.541 1.00 42.12 H new ATOM 1658 N THR A 101 3.170 6.629 7.796 1.00 65.43 N ATOM 1659 CA THR A 101 1.947 6.094 7.206 1.00 31.42 C ATOM 1660 C THR A 101 1.623 6.812 5.882 1.00 21.04 C ATOM 1661 O THR A 101 2.071 7.931 5.660 1.00 74.42 O ATOM 1662 CB THR A 101 0.770 6.283 8.220 1.00 51.40 C ATOM 1663 OG1 THR A 101 1.163 5.780 9.518 1.00 12.25 O ATOM 1664 CG2 THR A 101 -0.519 5.571 7.767 1.00 25.31 C ATOM 0 H THR A 101 3.028 7.534 8.245 1.00 65.43 H new ATOM 0 HA THR A 101 2.085 5.034 6.992 1.00 31.42 H new ATOM 0 HB THR A 101 0.555 7.350 8.271 1.00 51.40 H new ATOM 0 HG1 THR A 101 0.426 5.900 10.152 1.00 12.25 H new ATOM 0 HG21 THR A 101 -1.304 5.734 8.506 1.00 25.31 H new ATOM 0 HG22 THR A 101 -0.838 5.972 6.805 1.00 25.31 H new ATOM 0 HG23 THR A 101 -0.329 4.502 7.669 1.00 25.31 H new ATOM 1672 N VAL A 102 0.908 6.117 4.993 1.00 75.52 N ATOM 1673 CA VAL A 102 0.275 6.698 3.807 1.00 21.30 C ATOM 1674 C VAL A 102 -1.211 6.266 3.778 1.00 51.01 C ATOM 1675 O VAL A 102 -1.546 5.108 3.490 1.00 71.34 O ATOM 1676 CB VAL A 102 1.038 6.307 2.481 1.00 15.23 C ATOM 1677 CG1 VAL A 102 1.305 4.789 2.366 1.00 22.53 C ATOM 1678 CG2 VAL A 102 0.304 6.850 1.236 1.00 52.40 C ATOM 0 H VAL A 102 0.750 5.113 5.080 1.00 75.52 H new ATOM 0 HA VAL A 102 0.328 7.785 3.864 1.00 21.30 H new ATOM 0 HB VAL A 102 2.017 6.784 2.532 1.00 15.23 H new ATOM 0 HG11 VAL A 102 1.832 4.582 1.435 1.00 22.53 H new ATOM 0 HG12 VAL A 102 1.915 4.462 3.208 1.00 22.53 H new ATOM 0 HG13 VAL A 102 0.357 4.251 2.374 1.00 22.53 H new ATOM 0 HG21 VAL A 102 0.852 6.566 0.338 1.00 52.40 H new ATOM 0 HG22 VAL A 102 -0.702 6.432 1.195 1.00 52.40 H new ATOM 0 HG23 VAL A 102 0.243 7.937 1.295 1.00 52.40 H new ATOM 1688 N THR A 103 -2.099 7.205 4.126 1.00 22.11 N ATOM 1689 CA THR A 103 -3.536 6.976 4.180 1.00 31.13 C ATOM 1690 C THR A 103 -4.154 7.351 2.818 1.00 72.01 C ATOM 1691 O THR A 103 -4.241 8.534 2.457 1.00 73.34 O ATOM 1692 CB THR A 103 -4.182 7.803 5.335 1.00 63.12 C ATOM 1693 OG1 THR A 103 -3.452 7.561 6.551 1.00 12.54 O ATOM 1694 CG2 THR A 103 -5.663 7.438 5.559 1.00 2.33 C ATOM 0 H THR A 103 -1.830 8.155 4.380 1.00 22.11 H new ATOM 0 HA THR A 103 -3.731 5.923 4.384 1.00 31.13 H new ATOM 0 HB THR A 103 -4.138 8.855 5.053 1.00 63.12 H new ATOM 0 HG1 THR A 103 -2.711 8.198 6.620 1.00 12.54 H new ATOM 0 HG21 THR A 103 -6.067 8.040 6.373 1.00 2.33 H new ATOM 0 HG22 THR A 103 -6.228 7.634 4.648 1.00 2.33 H new ATOM 0 HG23 THR A 103 -5.743 6.382 5.815 1.00 2.33 H new ATOM 1702 N VAL A 104 -4.504 6.316 2.047 1.00 74.15 N ATOM 1703 CA VAL A 104 -5.116 6.430 0.720 1.00 20.42 C ATOM 1704 C VAL A 104 -6.625 6.163 0.827 1.00 61.31 C ATOM 1705 O VAL A 104 -7.036 5.101 1.307 1.00 71.33 O ATOM 1706 CB VAL A 104 -4.468 5.408 -0.296 1.00 73.13 C ATOM 1707 CG1 VAL A 104 -5.064 5.548 -1.727 1.00 30.32 C ATOM 1708 CG2 VAL A 104 -2.935 5.566 -0.316 1.00 53.22 C ATOM 0 H VAL A 104 -4.365 5.348 2.338 1.00 74.15 H new ATOM 0 HA VAL A 104 -4.942 7.439 0.347 1.00 20.42 H new ATOM 0 HB VAL A 104 -4.709 4.403 0.050 1.00 73.13 H new ATOM 0 HG11 VAL A 104 -4.589 4.826 -2.391 1.00 30.32 H new ATOM 0 HG12 VAL A 104 -6.137 5.360 -1.694 1.00 30.32 H new ATOM 0 HG13 VAL A 104 -4.884 6.557 -2.099 1.00 30.32 H new ATOM 0 HG21 VAL A 104 -2.505 4.854 -1.021 1.00 53.22 H new ATOM 0 HG22 VAL A 104 -2.678 6.580 -0.622 1.00 53.22 H new ATOM 0 HG23 VAL A 104 -2.537 5.375 0.680 1.00 53.22 H new ATOM 1718 N GLU A 105 -7.444 7.136 0.406 1.00 44.21 N ATOM 1719 CA GLU A 105 -8.902 6.958 0.308 1.00 25.44 C ATOM 1720 C GLU A 105 -9.241 6.407 -1.089 1.00 63.52 C ATOM 1721 O GLU A 105 -8.806 6.973 -2.090 1.00 14.31 O ATOM 1722 CB GLU A 105 -9.630 8.307 0.547 1.00 53.31 C ATOM 1723 CG GLU A 105 -11.176 8.218 0.478 1.00 45.14 C ATOM 1724 CD GLU A 105 -11.864 9.566 0.747 1.00 4.20 C ATOM 1725 OE1 GLU A 105 -12.036 10.356 -0.207 1.00 0.12 O ATOM 1726 OE2 GLU A 105 -12.228 9.845 1.909 1.00 1.35 O ATOM 0 H GLU A 105 -7.120 8.062 0.126 1.00 44.21 H new ATOM 0 HA GLU A 105 -9.236 6.255 1.071 1.00 25.44 H new ATOM 0 HB2 GLU A 105 -9.343 8.693 1.525 1.00 53.31 H new ATOM 0 HB3 GLU A 105 -9.286 9.029 -0.194 1.00 53.31 H new ATOM 0 HG2 GLU A 105 -11.471 7.855 -0.507 1.00 45.14 H new ATOM 0 HG3 GLU A 105 -11.526 7.485 1.205 1.00 45.14 H new ATOM 1733 N GLY A 106 -9.971 5.290 -1.143 1.00 43.32 N ATOM 1734 CA GLY A 106 -10.475 4.742 -2.408 1.00 4.34 C ATOM 1735 C GLY A 106 -11.973 4.975 -2.549 1.00 34.20 C ATOM 1736 O GLY A 106 -12.677 5.115 -1.542 1.00 65.45 O ATOM 0 H GLY A 106 -10.228 4.744 -0.321 1.00 43.32 H new ATOM 0 HA2 GLY A 106 -9.951 5.207 -3.243 1.00 4.34 H new ATOM 0 HA3 GLY A 106 -10.264 3.674 -2.455 1.00 4.34 H new ATOM 1740 N GLN A 107 -12.462 5.015 -3.797 1.00 50.05 N ATOM 1741 CA GLN A 107 -13.896 5.195 -4.104 1.00 61.21 C ATOM 1742 C GLN A 107 -14.312 4.217 -5.218 1.00 3.10 C ATOM 1743 O GLN A 107 -13.746 4.257 -6.320 1.00 75.42 O ATOM 1744 CB GLN A 107 -14.195 6.663 -4.535 1.00 64.24 C ATOM 1745 CG GLN A 107 -15.686 6.946 -4.842 1.00 54.14 C ATOM 1746 CD GLN A 107 -15.962 8.379 -5.315 1.00 3.01 C ATOM 1747 OE1 GLN A 107 -15.914 8.676 -6.510 1.00 65.42 O ATOM 1748 NE2 GLN A 107 -16.268 9.277 -4.392 1.00 74.31 N ATOM 0 H GLN A 107 -11.876 4.924 -4.627 1.00 50.05 H new ATOM 0 HA GLN A 107 -14.474 4.985 -3.204 1.00 61.21 H new ATOM 0 HB2 GLN A 107 -13.865 7.336 -3.744 1.00 64.24 H new ATOM 0 HB3 GLN A 107 -13.603 6.897 -5.420 1.00 64.24 H new ATOM 0 HG2 GLN A 107 -16.028 6.249 -5.607 1.00 54.14 H new ATOM 0 HG3 GLN A 107 -16.275 6.750 -3.946 1.00 54.14 H new ATOM 0 HE21 GLN A 107 -16.301 9.007 -3.409 1.00 74.31 H new ATOM 0 HE22 GLN A 107 -16.470 10.239 -4.664 1.00 74.31 H new ATOM 1757 N LEU A 108 -15.290 3.333 -4.918 1.00 13.12 N ATOM 1758 CA LEU A 108 -15.915 2.441 -5.915 1.00 40.30 C ATOM 1759 C LEU A 108 -17.303 2.008 -5.422 1.00 10.04 C ATOM 1760 O LEU A 108 -17.472 1.626 -4.262 1.00 23.11 O ATOM 1761 CB LEU A 108 -14.991 1.212 -6.308 1.00 34.30 C ATOM 1762 CG LEU A 108 -14.690 0.038 -5.275 1.00 22.35 C ATOM 1763 CD1 LEU A 108 -14.263 0.545 -3.873 1.00 50.44 C ATOM 1764 CD2 LEU A 108 -15.844 -1.005 -5.191 1.00 24.30 C ATOM 0 H LEU A 108 -15.667 3.220 -3.977 1.00 13.12 H new ATOM 0 HA LEU A 108 -16.041 3.001 -6.842 1.00 40.30 H new ATOM 0 HB2 LEU A 108 -15.434 0.752 -7.191 1.00 34.30 H new ATOM 0 HB3 LEU A 108 -14.028 1.623 -6.611 1.00 34.30 H new ATOM 0 HG LEU A 108 -13.825 -0.484 -5.684 1.00 22.35 H new ATOM 0 HD11 LEU A 108 -14.074 -0.307 -3.220 1.00 50.44 H new ATOM 0 HD12 LEU A 108 -13.355 1.142 -3.963 1.00 50.44 H new ATOM 0 HD13 LEU A 108 -15.059 1.157 -3.449 1.00 50.44 H new ATOM 0 HD21 LEU A 108 -15.582 -1.781 -4.471 1.00 24.30 H new ATOM 0 HD22 LEU A 108 -16.760 -0.509 -4.872 1.00 24.30 H new ATOM 0 HD23 LEU A 108 -15.998 -1.457 -6.171 1.00 24.30 H new ATOM 1776 N GLU A 109 -18.289 2.100 -6.313 1.00 33.24 N ATOM 1777 CA GLU A 109 -19.678 1.669 -6.049 1.00 42.30 C ATOM 1778 C GLU A 109 -19.738 0.145 -6.085 1.00 42.34 C ATOM 1779 O GLU A 109 -20.298 -0.499 -5.196 1.00 73.02 O ATOM 1780 CB GLU A 109 -20.649 2.275 -7.108 1.00 20.51 C ATOM 1781 CG GLU A 109 -20.932 3.788 -6.957 1.00 41.55 C ATOM 1782 CD GLU A 109 -19.673 4.680 -6.966 1.00 62.44 C ATOM 1783 OE1 GLU A 109 -19.121 4.922 -8.061 1.00 50.34 O ATOM 1784 OE2 GLU A 109 -19.221 5.132 -5.875 1.00 41.32 O ATOM 0 H GLU A 109 -18.154 2.478 -7.251 1.00 33.24 H new ATOM 0 HA GLU A 109 -19.988 2.024 -5.066 1.00 42.30 H new ATOM 0 HB2 GLU A 109 -20.235 2.097 -8.100 1.00 20.51 H new ATOM 0 HB3 GLU A 109 -21.596 1.738 -7.057 1.00 20.51 H new ATOM 0 HG2 GLU A 109 -21.591 4.104 -7.766 1.00 41.55 H new ATOM 0 HG3 GLU A 109 -21.471 3.952 -6.024 1.00 41.55 H new ATOM 1791 N GLY A 110 -19.130 -0.404 -7.138 1.00 3.30 N ATOM 1792 CA GLY A 110 -19.049 -1.834 -7.349 1.00 20.30 C ATOM 1793 C GLY A 110 -18.457 -2.126 -8.715 1.00 0.54 C ATOM 1794 O GLY A 110 -19.188 -2.178 -9.713 1.00 62.23 O ATOM 0 H GLY A 110 -18.679 0.144 -7.870 1.00 3.30 H new ATOM 0 HA2 GLY A 110 -18.435 -2.290 -6.573 1.00 20.30 H new ATOM 0 HA3 GLY A 110 -20.042 -2.278 -7.272 1.00 20.30 H new ATOM 1798 N VAL A 111 -17.117 -2.260 -8.769 1.00 61.20 N ATOM 1799 CA VAL A 111 -16.384 -2.520 -10.027 1.00 64.23 C ATOM 1800 C VAL A 111 -16.735 -3.913 -10.587 1.00 74.31 C ATOM 1801 O VAL A 111 -17.164 -4.809 -9.840 1.00 53.25 O ATOM 1802 CB VAL A 111 -14.824 -2.402 -9.843 1.00 34.40 C ATOM 1803 CG1 VAL A 111 -14.423 -0.992 -9.344 1.00 10.02 C ATOM 1804 CG2 VAL A 111 -14.279 -3.507 -8.916 1.00 41.44 C ATOM 0 H VAL A 111 -16.515 -2.192 -7.949 1.00 61.20 H new ATOM 0 HA VAL A 111 -16.697 -1.754 -10.736 1.00 64.23 H new ATOM 0 HB VAL A 111 -14.366 -2.546 -10.821 1.00 34.40 H new ATOM 0 HG11 VAL A 111 -13.340 -0.942 -9.227 1.00 10.02 H new ATOM 0 HG12 VAL A 111 -14.744 -0.244 -10.069 1.00 10.02 H new ATOM 0 HG13 VAL A 111 -14.901 -0.796 -8.384 1.00 10.02 H new ATOM 0 HG21 VAL A 111 -13.200 -3.395 -8.812 1.00 41.44 H new ATOM 0 HG22 VAL A 111 -14.749 -3.424 -7.936 1.00 41.44 H new ATOM 0 HG23 VAL A 111 -14.503 -4.484 -9.344 1.00 41.44 H new ATOM 1814 N ASP A 112 -16.544 -4.081 -11.904 1.00 64.41 N ATOM 1815 CA ASP A 112 -16.857 -5.335 -12.602 1.00 4.25 C ATOM 1816 C ASP A 112 -15.779 -6.394 -12.292 1.00 22.41 C ATOM 1817 O ASP A 112 -14.722 -6.431 -12.939 1.00 73.42 O ATOM 1818 CB ASP A 112 -16.981 -5.091 -14.134 1.00 75.21 C ATOM 1819 CG ASP A 112 -17.475 -6.332 -14.909 1.00 0.41 C ATOM 1820 OD1 ASP A 112 -18.688 -6.634 -14.848 1.00 12.50 O ATOM 1821 OD2 ASP A 112 -16.662 -7.017 -15.572 1.00 12.52 O ATOM 0 H ASP A 112 -16.169 -3.353 -12.513 1.00 64.41 H new ATOM 0 HA ASP A 112 -17.817 -5.709 -12.246 1.00 4.25 H new ATOM 0 HB2 ASP A 112 -17.669 -4.264 -14.309 1.00 75.21 H new ATOM 0 HB3 ASP A 112 -16.011 -4.788 -14.527 1.00 75.21 H new ATOM 1826 N LEU A 113 -16.020 -7.192 -11.236 1.00 75.34 N ATOM 1827 CA LEU A 113 -15.189 -8.363 -10.910 1.00 21.32 C ATOM 1828 C LEU A 113 -15.463 -9.449 -11.969 1.00 45.44 C ATOM 1829 O LEU A 113 -16.439 -10.209 -11.871 1.00 25.24 O ATOM 1830 CB LEU A 113 -15.471 -8.867 -9.457 1.00 74.32 C ATOM 1831 CG LEU A 113 -15.088 -7.894 -8.285 1.00 42.24 C ATOM 1832 CD1 LEU A 113 -15.338 -8.549 -6.907 1.00 35.40 C ATOM 1833 CD2 LEU A 113 -13.628 -7.404 -8.396 1.00 3.22 C ATOM 0 H LEU A 113 -16.793 -7.043 -10.588 1.00 75.34 H new ATOM 0 HA LEU A 113 -14.132 -8.098 -10.934 1.00 21.32 H new ATOM 0 HB2 LEU A 113 -16.534 -9.095 -9.376 1.00 74.32 H new ATOM 0 HB3 LEU A 113 -14.932 -9.803 -9.311 1.00 74.32 H new ATOM 0 HG LEU A 113 -15.737 -7.022 -8.373 1.00 42.24 H new ATOM 0 HD11 LEU A 113 -15.063 -7.850 -6.117 1.00 35.40 H new ATOM 0 HD12 LEU A 113 -16.393 -8.807 -6.813 1.00 35.40 H new ATOM 0 HD13 LEU A 113 -14.734 -9.452 -6.819 1.00 35.40 H new ATOM 0 HD21 LEU A 113 -13.405 -6.734 -7.566 1.00 3.22 H new ATOM 0 HD22 LEU A 113 -12.954 -8.260 -8.363 1.00 3.22 H new ATOM 0 HD23 LEU A 113 -13.493 -6.872 -9.338 1.00 3.22 H new ATOM 1845 N GLU A 114 -14.618 -9.434 -13.017 1.00 51.33 N ATOM 1846 CA GLU A 114 -14.755 -10.276 -14.220 1.00 33.33 C ATOM 1847 C GLU A 114 -14.765 -11.785 -13.877 1.00 51.22 C ATOM 1848 O GLU A 114 -15.759 -12.470 -14.119 1.00 23.13 O ATOM 1849 CB GLU A 114 -13.645 -9.911 -15.282 1.00 31.12 C ATOM 1850 CG GLU A 114 -12.160 -10.173 -14.900 1.00 2.14 C ATOM 1851 CD GLU A 114 -11.655 -9.376 -13.678 1.00 41.03 C ATOM 1852 OE1 GLU A 114 -11.293 -8.196 -13.836 1.00 44.54 O ATOM 1853 OE2 GLU A 114 -11.648 -9.922 -12.549 1.00 62.45 O ATOM 0 H GLU A 114 -13.803 -8.822 -13.051 1.00 51.33 H new ATOM 0 HA GLU A 114 -15.725 -10.063 -14.668 1.00 33.33 H new ATOM 0 HB2 GLU A 114 -13.859 -10.467 -16.195 1.00 31.12 H new ATOM 0 HB3 GLU A 114 -13.747 -8.853 -15.523 1.00 31.12 H new ATOM 0 HG2 GLU A 114 -12.033 -11.237 -14.700 1.00 2.14 H new ATOM 0 HG3 GLU A 114 -11.531 -9.933 -15.757 1.00 2.14 H new ATOM 1860 N HIS A 115 -13.671 -12.274 -13.269 1.00 14.21 N ATOM 1861 CA HIS A 115 -13.441 -13.697 -12.956 1.00 62.33 C ATOM 1862 C HIS A 115 -12.348 -13.775 -11.883 1.00 2.54 C ATOM 1863 O HIS A 115 -11.411 -12.971 -11.897 1.00 73.42 O ATOM 1864 CB HIS A 115 -12.978 -14.515 -14.203 1.00 30.51 C ATOM 1865 CG HIS A 115 -14.019 -14.697 -15.278 1.00 71.43 C ATOM 1866 ND1 HIS A 115 -14.065 -13.928 -16.419 1.00 31.04 N ATOM 1867 CD2 HIS A 115 -15.068 -15.546 -15.362 1.00 54.34 C ATOM 1868 CE1 HIS A 115 -15.091 -14.297 -17.155 1.00 5.55 C ATOM 1869 NE2 HIS A 115 -15.719 -15.275 -16.537 1.00 33.44 N ATOM 0 H HIS A 115 -12.900 -11.675 -12.973 1.00 14.21 H new ATOM 0 HA HIS A 115 -14.382 -14.127 -12.613 1.00 62.33 H new ATOM 0 HB2 HIS A 115 -12.111 -14.020 -14.640 1.00 30.51 H new ATOM 0 HB3 HIS A 115 -12.648 -15.499 -13.869 1.00 30.51 H new ATOM 0 HD2 HIS A 115 -15.342 -16.298 -14.637 1.00 54.34 H new ATOM 0 HE1 HIS A 115 -15.371 -13.869 -18.106 1.00 5.55 H new ATOM 0 HE2 HIS A 115 -16.554 -15.753 -16.877 1.00 33.44 H new ATOM 1878 N HIS A 116 -12.475 -14.723 -10.953 1.00 71.54 N ATOM 1879 CA HIS A 116 -11.420 -15.008 -9.956 1.00 4.42 C ATOM 1880 C HIS A 116 -10.556 -16.167 -10.476 1.00 1.04 C ATOM 1881 O HIS A 116 -11.078 -17.096 -11.104 1.00 64.20 O ATOM 1882 CB HIS A 116 -12.044 -15.344 -8.578 1.00 75.32 C ATOM 1883 CG HIS A 116 -12.776 -14.186 -7.949 1.00 4.04 C ATOM 1884 ND1 HIS A 116 -14.134 -14.175 -7.694 1.00 21.52 N ATOM 1885 CD2 HIS A 116 -12.313 -12.995 -7.522 1.00 30.23 C ATOM 1886 CE1 HIS A 116 -14.463 -13.022 -7.141 1.00 75.52 C ATOM 1887 NE2 HIS A 116 -13.375 -12.293 -7.026 1.00 44.23 N ATOM 0 H HIS A 116 -13.301 -15.315 -10.862 1.00 71.54 H new ATOM 0 HA HIS A 116 -10.794 -14.127 -9.817 1.00 4.42 H new ATOM 0 HB2 HIS A 116 -12.735 -16.179 -8.695 1.00 75.32 H new ATOM 0 HB3 HIS A 116 -11.255 -15.675 -7.902 1.00 75.32 H new ATOM 0 HD2 HIS A 116 -11.288 -12.657 -7.564 1.00 30.23 H new ATOM 0 HE1 HIS A 116 -15.456 -12.728 -6.835 1.00 75.52 H new ATOM 0 HE2 HIS A 116 -13.331 -11.354 -6.630 1.00 44.23 H new ATOM 1896 N HIS A 117 -9.243 -16.108 -10.213 1.00 63.12 N ATOM 1897 CA HIS A 117 -8.266 -17.091 -10.736 1.00 55.03 C ATOM 1898 C HIS A 117 -7.427 -17.664 -9.577 1.00 30.01 C ATOM 1899 O HIS A 117 -7.265 -17.004 -8.543 1.00 5.05 O ATOM 1900 CB HIS A 117 -7.360 -16.408 -11.804 1.00 3.03 C ATOM 1901 CG HIS A 117 -6.448 -17.341 -12.560 1.00 73.23 C ATOM 1902 ND1 HIS A 117 -6.865 -18.085 -13.642 1.00 64.31 N ATOM 1903 CD2 HIS A 117 -5.132 -17.642 -12.392 1.00 61.42 C ATOM 1904 CE1 HIS A 117 -5.854 -18.795 -14.103 1.00 13.24 C ATOM 1905 NE2 HIS A 117 -4.794 -18.546 -13.363 1.00 21.54 N ATOM 0 H HIS A 117 -8.823 -15.381 -9.634 1.00 63.12 H new ATOM 0 HA HIS A 117 -8.794 -17.918 -11.211 1.00 55.03 H new ATOM 0 HB2 HIS A 117 -7.997 -15.889 -12.520 1.00 3.03 H new ATOM 0 HB3 HIS A 117 -6.751 -15.650 -11.311 1.00 3.03 H new ATOM 0 HD2 HIS A 117 -4.476 -17.242 -11.633 1.00 61.42 H new ATOM 0 HE1 HIS A 117 -5.890 -19.468 -14.947 1.00 13.24 H new ATOM 0 HE2 HIS A 117 -3.871 -18.960 -13.492 1.00 21.54 H new ATOM 1914 N HIS A 118 -6.912 -18.903 -9.766 1.00 15.20 N ATOM 1915 CA HIS A 118 -6.004 -19.576 -8.809 1.00 73.01 C ATOM 1916 C HIS A 118 -4.762 -18.698 -8.547 1.00 64.12 C ATOM 1917 O HIS A 118 -3.917 -18.548 -9.443 1.00 71.12 O ATOM 1918 CB HIS A 118 -5.548 -20.966 -9.352 1.00 5.14 C ATOM 1919 CG HIS A 118 -6.621 -22.010 -9.490 1.00 44.44 C ATOM 1920 ND1 HIS A 118 -6.358 -23.285 -9.944 1.00 3.30 N ATOM 1921 CD2 HIS A 118 -7.948 -21.981 -9.226 1.00 2.42 C ATOM 1922 CE1 HIS A 118 -7.469 -23.985 -9.956 1.00 3.13 C ATOM 1923 NE2 HIS A 118 -8.449 -23.218 -9.525 1.00 60.44 N ATOM 0 H HIS A 118 -7.117 -19.466 -10.592 1.00 15.20 H new ATOM 0 HA HIS A 118 -6.550 -19.726 -7.878 1.00 73.01 H new ATOM 0 HB2 HIS A 118 -5.087 -20.818 -10.328 1.00 5.14 H new ATOM 0 HB3 HIS A 118 -4.774 -21.355 -8.690 1.00 5.14 H new ATOM 0 HD2 HIS A 118 -8.508 -21.138 -8.849 1.00 2.42 H new ATOM 0 HE1 HIS A 118 -7.563 -25.015 -10.267 1.00 3.13 H new ATOM 0 HE2 HIS A 118 -9.424 -23.501 -9.430 1.00 60.44 H new ATOM 1932 N HIS A 119 -4.694 -18.094 -7.340 1.00 33.23 N ATOM 1933 CA HIS A 119 -3.575 -17.214 -6.947 1.00 40.10 C ATOM 1934 C HIS A 119 -2.267 -18.027 -6.855 1.00 61.12 C ATOM 1935 O HIS A 119 -2.277 -19.182 -6.404 1.00 0.23 O ATOM 1936 CB HIS A 119 -3.862 -16.477 -5.601 1.00 31.03 C ATOM 1937 CG HIS A 119 -3.700 -17.326 -4.363 1.00 32.54 C ATOM 1938 ND1 HIS A 119 -4.602 -18.297 -3.988 1.00 54.10 N ATOM 1939 CD2 HIS A 119 -2.704 -17.368 -3.440 1.00 35.35 C ATOM 1940 CE1 HIS A 119 -4.170 -18.896 -2.899 1.00 43.31 C ATOM 1941 NE2 HIS A 119 -3.021 -18.353 -2.551 1.00 30.50 N ATOM 0 H HIS A 119 -5.407 -18.202 -6.618 1.00 33.23 H new ATOM 0 HA HIS A 119 -3.465 -16.450 -7.717 1.00 40.10 H new ATOM 0 HB2 HIS A 119 -3.195 -15.618 -5.525 1.00 31.03 H new ATOM 0 HB3 HIS A 119 -4.880 -16.088 -5.626 1.00 31.03 H new ATOM 0 HD2 HIS A 119 -1.826 -16.740 -3.415 1.00 35.35 H new ATOM 0 HE1 HIS A 119 -4.673 -19.698 -2.378 1.00 43.31 H new ATOM 0 HE2 HIS A 119 -2.458 -18.626 -1.745 1.00 30.50 H new ATOM 1950 N HIS A 120 -1.157 -17.425 -7.297 1.00 22.40 N ATOM 1951 CA HIS A 120 0.170 -18.055 -7.243 1.00 73.23 C ATOM 1952 C HIS A 120 0.813 -17.740 -5.869 1.00 51.32 C ATOM 1953 O HIS A 120 1.561 -16.751 -5.750 1.00 64.23 O ATOM 1954 CB HIS A 120 1.051 -17.573 -8.437 1.00 53.02 C ATOM 1955 CG HIS A 120 0.379 -17.670 -9.782 1.00 42.44 C ATOM 1956 ND1 HIS A 120 0.276 -16.600 -10.649 1.00 12.44 N ATOM 1957 CD2 HIS A 120 -0.232 -18.709 -10.408 1.00 64.42 C ATOM 1958 CE1 HIS A 120 -0.367 -16.975 -11.738 1.00 62.50 C ATOM 1959 NE2 HIS A 120 -0.682 -18.246 -11.618 1.00 62.32 N ATOM 1960 OXT HIS A 120 0.522 -18.464 -4.895 1.00 38.57 O ATOM 0 H HIS A 120 -1.152 -16.489 -7.702 1.00 22.40 H new ATOM 0 HA HIS A 120 0.082 -19.137 -7.340 1.00 73.23 H new ATOM 0 HB2 HIS A 120 1.342 -16.537 -8.263 1.00 53.02 H new ATOM 0 HB3 HIS A 120 1.967 -18.163 -8.458 1.00 53.02 H new ATOM 0 HD2 HIS A 120 -0.343 -19.713 -10.025 1.00 64.42 H new ATOM 0 HE1 HIS A 120 -0.596 -16.345 -12.585 1.00 62.50 H new ATOM 0 HE2 HIS A 120 -1.182 -18.800 -12.314 1.00 62.32 H new TER 1969 HIS A 120