USER MOD reduce.3.24.130724 H: found=0, std=0, add=924, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 924 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 116 ASN : amide:sc= 0.136 X(o=0.27,f=-0.14) USER MOD Set 1.2: A 118 SER OG : rot 87:sc= 0.139 USER MOD Set 2.1: A 95 GLN : amide:sc= -1.24! X(o=-1.4!,f=-1.8) USER MOD Set 2.2: A 97 ASN : amide:sc= -0.898 K(o=-1.4,f=-2.2) USER MOD Set 2.3: A 108 THR OG1 : rot -93:sc= 0.724 USER MOD Set 3.1: A 78 MET CE :methyl 163:sc= -0.0669 (180deg=-0.439) USER MOD Set 3.2: A 80 THR OG1 : rot -140:sc= 0 USER MOD Set 4.1: A 56 GLN : amide:sc= 1.16 K(o=-0.056,f=-5.6!) USER MOD Set 4.2: A 59 GLN : amide:sc= -1.21 K(o=-0.056,f=-6.3!) USER MOD Set 5.1: A 32 ASN : amide:sc= 1.05 K(o=2.2,f=-0.4) USER MOD Set 5.2: A 33 SER OG : rot 61:sc= 1.19 USER MOD Set 6.1: A 26 ASN : amide:sc= 0.673 K(o=1.2,f=-0.65) USER MOD Set 6.2: A 27 SER OG : rot -38:sc= 0.498 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -120:sc= 0.145 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.17 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 ASN : amide:sc= -0.301 X(o=-0.3,f=-0.0063) USER MOD Single : A 13 ASN : amide:sc= -0.0207 X(o=-0.021,f=-0.36) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 20 ASN : amide:sc= -0.0904 X(o=-0.09,f=-0.48) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -169:sc= -0.0143 (180deg=-0.172) USER MOD Single : A 38 SER OG : rot -45:sc= 0.441 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot -31:sc= 0.143 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 SER OG : rot 76:sc= 1.28 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=-0.056) USER MOD Single : A 71 ASN : amide:sc= -1.29! C(o=-1.3!,f=-4!) USER MOD Single : A 72 THR OG1 : rot -1:sc= -0.0468 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -0.45 X(o=-0.45,f=-0.04) USER MOD Single : A 93 GLN :FLIP amide:sc= 0 F(o=-1.9!,f=0) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 9:sc= 1.25 USER MOD Single : A 105 GLN : amide:sc= -0.0615 X(o=-0.062,f=-0.036) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 117 ASN : amide:sc=-0.00238 K(o=-0.0024,f=-0.78) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 HIS : no HD1:sc= -0.11 X(o=-0.11,f=-0.061) USER MOD Single : A 123 HIS : no HE2:sc= -0.446 X(o=-0.45,f=-0.76) USER MOD Single : A 124 HIS : no HD1:sc= -0.0783 X(o=-0.078,f=0) USER MOD Single : A 125 HIS : no HD1:sc=-0.000729 X(o=-0.00073,f=-0.0053) USER MOD Single : A 126 HIS : no HD1:sc= -0.248 X(o=-0.25,f=-0.0019) USER MOD Single : A 127 HIS : no HD1:sc= 0 X(o=0,f=-0.0046) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 21.052 -16.832 7.622 1.00 0.00 N ATOM 2 CA MET A 1 22.349 -16.626 6.938 1.00 52.33 C ATOM 3 C MET A 1 22.229 -16.998 5.465 1.00 71.33 C ATOM 4 O MET A 1 21.138 -17.327 4.995 1.00 1.24 O ATOM 5 CB MET A 1 23.456 -17.460 7.601 1.00 2.44 C ATOM 6 CG MET A 1 23.283 -18.966 7.444 1.00 75.50 C ATOM 7 SD MET A 1 24.659 -19.900 8.139 1.00 21.34 S ATOM 8 CE MET A 1 24.215 -21.567 7.668 1.00 13.04 C ATOM 0 H1 MET A 1 20.723 -15.930 8.021 1.00 0.00 H new ATOM 0 H2 MET A 1 20.352 -17.185 6.939 1.00 0.00 H new ATOM 0 H3 MET A 1 21.170 -17.526 8.387 1.00 0.00 H new ATOM 0 HA MET A 1 22.615 -15.572 7.021 1.00 52.33 H new ATOM 0 HB2 MET A 1 24.417 -17.170 7.177 1.00 2.44 H new ATOM 0 HB3 MET A 1 23.490 -17.218 8.663 1.00 2.44 H new ATOM 0 HG2 MET A 1 22.358 -19.274 7.931 1.00 75.50 H new ATOM 0 HG3 MET A 1 23.183 -19.208 6.386 1.00 75.50 H new ATOM 0 HE1 MET A 1 24.974 -22.261 8.029 1.00 13.04 H new ATOM 0 HE2 MET A 1 23.250 -21.824 8.106 1.00 13.04 H new ATOM 0 HE3 MET A 1 24.150 -21.633 6.582 1.00 13.04 H new ATOM 20 N ALA A 2 23.354 -16.942 4.749 1.00 12.30 N ATOM 21 CA ALA A 2 23.412 -17.304 3.332 1.00 21.34 C ATOM 22 C ALA A 2 22.588 -16.347 2.480 1.00 14.20 C ATOM 23 O ALA A 2 21.642 -16.748 1.800 1.00 72.13 O ATOM 24 CB ALA A 2 22.966 -18.745 3.120 1.00 74.23 C ATOM 0 H ALA A 2 24.250 -16.644 5.135 1.00 12.30 H new ATOM 0 HA ALA A 2 24.450 -17.220 3.011 1.00 21.34 H new ATOM 0 HB1 ALA A 2 23.018 -18.990 2.059 1.00 74.23 H new ATOM 0 HB2 ALA A 2 23.620 -19.414 3.679 1.00 74.23 H new ATOM 0 HB3 ALA A 2 21.940 -18.864 3.470 1.00 74.23 H new ATOM 30 N GLY A 3 22.950 -15.081 2.532 1.00 50.23 N ATOM 31 CA GLY A 3 22.286 -14.083 1.729 1.00 65.14 C ATOM 32 C GLY A 3 23.278 -13.239 0.954 1.00 23.21 C ATOM 33 O GLY A 3 24.178 -12.636 1.541 1.00 32.24 O ATOM 0 H GLY A 3 23.700 -14.722 3.123 1.00 50.23 H new ATOM 0 HA2 GLY A 3 21.602 -14.570 1.035 1.00 65.14 H new ATOM 0 HA3 GLY A 3 21.684 -13.440 2.371 1.00 65.14 H new ATOM 37 N THR A 4 23.118 -13.191 -0.360 1.00 43.32 N ATOM 38 CA THR A 4 24.041 -12.461 -1.215 1.00 31.21 C ATOM 39 C THR A 4 23.703 -10.966 -1.231 1.00 2.41 C ATOM 40 O THR A 4 22.535 -10.575 -1.153 1.00 63.23 O ATOM 41 CB THR A 4 24.034 -13.031 -2.657 1.00 4.31 C ATOM 42 OG1 THR A 4 25.048 -12.406 -3.460 1.00 72.25 O ATOM 43 CG2 THR A 4 22.676 -12.841 -3.316 1.00 71.44 C ATOM 0 H THR A 4 22.356 -13.650 -0.858 1.00 43.32 H new ATOM 0 HA THR A 4 25.043 -12.584 -0.804 1.00 31.21 H new ATOM 0 HB THR A 4 24.244 -14.098 -2.585 1.00 4.31 H new ATOM 0 HG1 THR A 4 25.027 -12.782 -4.365 1.00 72.25 H new ATOM 0 HG21 THR A 4 22.701 -13.250 -4.326 1.00 71.44 H new ATOM 0 HG22 THR A 4 21.913 -13.358 -2.734 1.00 71.44 H new ATOM 0 HG23 THR A 4 22.439 -11.778 -3.361 1.00 71.44 H new ATOM 51 N MET A 5 24.734 -10.136 -1.288 1.00 11.31 N ATOM 52 CA MET A 5 24.559 -8.695 -1.383 1.00 75.43 C ATOM 53 C MET A 5 24.794 -8.241 -2.820 1.00 15.13 C ATOM 54 O MET A 5 25.832 -8.535 -3.417 1.00 24.32 O ATOM 55 CB MET A 5 25.498 -7.955 -0.411 1.00 22.24 C ATOM 56 CG MET A 5 26.986 -8.216 -0.638 1.00 23.44 C ATOM 57 SD MET A 5 27.482 -9.910 -0.252 1.00 11.43 S ATOM 58 CE MET A 5 29.236 -9.837 -0.601 1.00 45.42 C ATOM 0 H MET A 5 25.708 -10.439 -1.270 1.00 11.31 H new ATOM 0 HA MET A 5 23.536 -8.449 -1.098 1.00 75.43 H new ATOM 0 HB2 MET A 5 25.314 -6.884 -0.494 1.00 22.24 H new ATOM 0 HB3 MET A 5 25.244 -8.244 0.609 1.00 22.24 H new ATOM 0 HG2 MET A 5 27.231 -8.001 -1.678 1.00 23.44 H new ATOM 0 HG3 MET A 5 27.566 -7.526 -0.025 1.00 23.44 H new ATOM 0 HE1 MET A 5 29.686 -10.811 -0.410 1.00 45.42 H new ATOM 0 HE2 MET A 5 29.388 -9.566 -1.646 1.00 45.42 H new ATOM 0 HE3 MET A 5 29.704 -9.089 0.040 1.00 45.42 H new ATOM 68 N THR A 6 23.812 -7.559 -3.390 1.00 41.42 N ATOM 69 CA THR A 6 23.905 -7.099 -4.771 1.00 43.12 C ATOM 70 C THR A 6 23.041 -5.860 -4.998 1.00 64.43 C ATOM 71 O THR A 6 23.505 -4.869 -5.560 1.00 60.42 O ATOM 72 CB THR A 6 23.472 -8.207 -5.756 1.00 74.21 C ATOM 73 OG1 THR A 6 24.189 -9.417 -5.472 1.00 54.11 O ATOM 74 CG2 THR A 6 23.730 -7.791 -7.199 1.00 62.12 C ATOM 0 H THR A 6 22.942 -7.311 -2.920 1.00 41.42 H new ATOM 0 HA THR A 6 24.949 -6.845 -4.955 1.00 43.12 H new ATOM 0 HB THR A 6 22.402 -8.373 -5.631 1.00 74.21 H new ATOM 0 HG1 THR A 6 23.910 -10.117 -6.098 1.00 54.11 H new ATOM 0 HG21 THR A 6 23.416 -8.590 -7.870 1.00 62.12 H new ATOM 0 HG22 THR A 6 23.165 -6.886 -7.423 1.00 62.12 H new ATOM 0 HG23 THR A 6 24.794 -7.599 -7.338 1.00 62.12 H new ATOM 82 N PHE A 7 21.789 -5.922 -4.550 1.00 42.33 N ATOM 83 CA PHE A 7 20.847 -4.821 -4.736 1.00 74.33 C ATOM 84 C PHE A 7 21.291 -3.562 -3.978 1.00 63.13 C ATOM 85 O PHE A 7 21.878 -2.659 -4.575 1.00 64.35 O ATOM 86 CB PHE A 7 19.419 -5.260 -4.339 1.00 24.13 C ATOM 87 CG PHE A 7 19.309 -5.975 -3.010 1.00 71.12 C ATOM 88 CD1 PHE A 7 19.767 -7.276 -2.862 1.00 75.04 C ATOM 89 CD2 PHE A 7 18.735 -5.346 -1.916 1.00 54.44 C ATOM 90 CE1 PHE A 7 19.659 -7.934 -1.651 1.00 24.44 C ATOM 91 CE2 PHE A 7 18.626 -5.998 -0.702 1.00 13.11 C ATOM 92 CZ PHE A 7 19.089 -7.293 -0.569 1.00 63.23 C ATOM 0 H PHE A 7 21.403 -6.725 -4.054 1.00 42.33 H new ATOM 0 HA PHE A 7 20.835 -4.559 -5.794 1.00 74.33 H new ATOM 0 HB2 PHE A 7 18.780 -4.378 -4.312 1.00 24.13 H new ATOM 0 HB3 PHE A 7 19.028 -5.914 -5.118 1.00 24.13 H new ATOM 0 HD1 PHE A 7 20.214 -7.782 -3.705 1.00 75.04 H new ATOM 0 HD2 PHE A 7 18.369 -4.335 -2.013 1.00 54.44 H new ATOM 0 HE1 PHE A 7 20.020 -8.947 -1.551 1.00 24.44 H new ATOM 0 HE2 PHE A 7 18.179 -5.495 0.143 1.00 13.11 H new ATOM 0 HZ PHE A 7 19.005 -7.803 0.379 1.00 63.23 H new ATOM 102 N GLN A 8 21.014 -3.517 -2.673 1.00 31.11 N ATOM 103 CA GLN A 8 21.448 -2.420 -1.800 1.00 22.32 C ATOM 104 C GLN A 8 21.107 -1.055 -2.401 1.00 73.41 C ATOM 105 O GLN A 8 21.994 -0.244 -2.678 1.00 70.13 O ATOM 106 CB GLN A 8 22.952 -2.525 -1.539 1.00 44.31 C ATOM 107 CG GLN A 8 23.387 -3.897 -1.044 1.00 2.34 C ATOM 108 CD GLN A 8 24.887 -4.004 -0.863 1.00 35.43 C ATOM 109 OE1 GLN A 8 25.607 -4.363 -1.794 1.00 50.31 O ATOM 110 NE2 GLN A 8 25.362 -3.722 0.337 1.00 14.45 N ATOM 0 H GLN A 8 20.482 -4.240 -2.190 1.00 31.11 H new ATOM 0 HA GLN A 8 20.911 -2.508 -0.855 1.00 22.32 H new ATOM 0 HB2 GLN A 8 23.490 -2.292 -2.458 1.00 44.31 H new ATOM 0 HB3 GLN A 8 23.238 -1.774 -0.803 1.00 44.31 H new ATOM 0 HG2 GLN A 8 22.894 -4.109 -0.095 1.00 2.34 H new ATOM 0 HG3 GLN A 8 23.055 -4.656 -1.752 1.00 2.34 H new ATOM 0 HE21 GLN A 8 24.728 -3.428 1.080 1.00 14.45 H new ATOM 0 HE22 GLN A 8 26.362 -3.798 0.520 1.00 14.45 H new ATOM 119 N PHE A 9 19.822 -0.810 -2.603 1.00 73.24 N ATOM 120 CA PHE A 9 19.375 0.407 -3.271 1.00 4.13 C ATOM 121 C PHE A 9 18.598 1.309 -2.318 1.00 32.53 C ATOM 122 O PHE A 9 18.288 0.919 -1.188 1.00 20.24 O ATOM 123 CB PHE A 9 18.517 0.060 -4.496 1.00 55.13 C ATOM 124 CG PHE A 9 17.327 -0.812 -4.191 1.00 3.12 C ATOM 125 CD1 PHE A 9 16.098 -0.252 -3.879 1.00 54.02 C ATOM 126 CD2 PHE A 9 17.438 -2.194 -4.221 1.00 53.11 C ATOM 127 CE1 PHE A 9 15.008 -1.054 -3.598 1.00 4.52 C ATOM 128 CE2 PHE A 9 16.350 -2.999 -3.944 1.00 31.40 C ATOM 129 CZ PHE A 9 15.134 -2.428 -3.631 1.00 63.11 C ATOM 0 H PHE A 9 19.069 -1.435 -2.315 1.00 73.24 H new ATOM 0 HA PHE A 9 20.259 0.951 -3.602 1.00 4.13 H new ATOM 0 HB2 PHE A 9 18.167 0.985 -4.954 1.00 55.13 H new ATOM 0 HB3 PHE A 9 19.143 -0.444 -5.233 1.00 55.13 H new ATOM 0 HD1 PHE A 9 15.991 0.822 -3.855 1.00 54.02 H new ATOM 0 HD2 PHE A 9 18.388 -2.647 -4.464 1.00 53.11 H new ATOM 0 HE1 PHE A 9 14.057 -0.605 -3.352 1.00 4.52 H new ATOM 0 HE2 PHE A 9 16.451 -4.074 -3.972 1.00 31.40 H new ATOM 0 HZ PHE A 9 14.282 -3.055 -3.412 1.00 63.11 H new ATOM 139 N ARG A 10 18.287 2.510 -2.789 1.00 62.51 N ATOM 140 CA ARG A 10 17.550 3.494 -2.007 1.00 44.32 C ATOM 141 C ARG A 10 17.015 4.586 -2.933 1.00 21.34 C ATOM 142 O ARG A 10 17.793 5.380 -3.466 1.00 35.21 O ATOM 143 CB ARG A 10 18.459 4.122 -0.943 1.00 21.20 C ATOM 144 CG ARG A 10 17.738 5.069 0.006 1.00 72.03 C ATOM 145 CD ARG A 10 17.401 4.396 1.331 1.00 53.43 C ATOM 146 NE ARG A 10 16.593 3.187 1.166 1.00 61.25 N ATOM 147 CZ ARG A 10 16.526 2.212 2.073 1.00 52.03 C ATOM 148 NH1 ARG A 10 17.198 2.313 3.212 1.00 11.40 N1+ ATOM 149 NH2 ARG A 10 15.786 1.133 1.841 1.00 60.33 N ATOM 0 H ARG A 10 18.539 2.829 -3.724 1.00 62.51 H new ATOM 0 HA ARG A 10 16.719 2.996 -1.508 1.00 44.32 H new ATOM 0 HB2 ARG A 10 18.924 3.326 -0.362 1.00 21.20 H new ATOM 0 HB3 ARG A 10 19.263 4.665 -1.441 1.00 21.20 H new ATOM 0 HG2 ARG A 10 18.362 5.943 0.191 1.00 72.03 H new ATOM 0 HG3 ARG A 10 16.821 5.426 -0.464 1.00 72.03 H new ATOM 0 HD2 ARG A 10 18.326 4.141 1.849 1.00 53.43 H new ATOM 0 HD3 ARG A 10 16.865 5.102 1.965 1.00 53.43 H new ATOM 0 HE ARG A 10 16.050 3.084 0.308 1.00 61.25 H new ATOM 0 HH11 ARG A 10 17.768 3.138 3.396 1.00 11.40 H new ATOM 0 HH12 ARG A 10 17.145 1.565 3.904 1.00 11.40 H new ATOM 0 HH21 ARG A 10 15.267 1.049 0.967 1.00 60.33 H new ATOM 0 HH22 ARG A 10 15.737 0.389 2.537 1.00 60.33 H new ATOM 163 N ASN A 11 15.698 4.601 -3.143 1.00 4.11 N ATOM 164 CA ASN A 11 15.054 5.605 -3.996 1.00 44.33 C ATOM 165 C ASN A 11 15.505 5.459 -5.455 1.00 62.55 C ATOM 166 O ASN A 11 16.499 6.055 -5.865 1.00 3.33 O ATOM 167 CB ASN A 11 15.328 7.030 -3.475 1.00 42.41 C ATOM 168 CG ASN A 11 14.640 8.106 -4.295 1.00 62.50 C ATOM 169 OD1 ASN A 11 13.470 8.417 -4.072 1.00 63.14 O ATOM 170 ND2 ASN A 11 15.366 8.703 -5.229 1.00 43.24 N ATOM 0 H ASN A 11 15.052 3.926 -2.733 1.00 4.11 H new ATOM 0 HA ASN A 11 13.978 5.434 -3.959 1.00 44.33 H new ATOM 0 HB2 ASN A 11 14.995 7.102 -2.440 1.00 42.41 H new ATOM 0 HB3 ASN A 11 16.403 7.211 -3.478 1.00 42.41 H new ATOM 0 HD21 ASN A 11 14.958 9.449 -5.793 1.00 43.24 H new ATOM 0 HD22 ASN A 11 16.333 8.417 -5.384 1.00 43.24 H new ATOM 177 N PRO A 12 14.810 4.613 -6.238 1.00 71.33 N ATOM 178 CA PRO A 12 15.140 4.373 -7.654 1.00 34.14 C ATOM 179 C PRO A 12 15.191 5.666 -8.473 1.00 51.42 C ATOM 180 O PRO A 12 15.976 5.777 -9.420 1.00 63.23 O ATOM 181 CB PRO A 12 13.999 3.477 -8.141 1.00 5.44 C ATOM 182 CG PRO A 12 13.489 2.810 -6.909 1.00 13.40 C ATOM 183 CD PRO A 12 13.648 3.817 -5.806 1.00 22.12 C ATOM 0 HA PRO A 12 16.128 3.928 -7.768 1.00 34.14 H new ATOM 0 HB2 PRO A 12 13.218 4.060 -8.628 1.00 5.44 H new ATOM 0 HB3 PRO A 12 14.352 2.747 -8.869 1.00 5.44 H new ATOM 0 HG2 PRO A 12 12.445 2.518 -7.025 1.00 13.40 H new ATOM 0 HG3 PRO A 12 14.052 1.902 -6.694 1.00 13.40 H new ATOM 0 HD2 PRO A 12 12.757 4.435 -5.694 1.00 22.12 H new ATOM 0 HD3 PRO A 12 13.825 3.336 -4.844 1.00 22.12 H new ATOM 191 N ASN A 13 14.337 6.625 -8.098 1.00 41.30 N ATOM 192 CA ASN A 13 14.320 7.966 -8.692 1.00 75.43 C ATOM 193 C ASN A 13 13.736 7.962 -10.102 1.00 53.44 C ATOM 194 O ASN A 13 14.368 7.506 -11.058 1.00 60.03 O ATOM 195 CB ASN A 13 15.726 8.582 -8.704 1.00 5.35 C ATOM 196 CG ASN A 13 15.792 9.909 -9.441 1.00 12.51 C ATOM 197 OD1 ASN A 13 14.829 10.681 -9.462 1.00 74.54 O ATOM 198 ND2 ASN A 13 16.935 10.183 -10.052 1.00 31.22 N ATOM 0 H ASN A 13 13.635 6.492 -7.370 1.00 41.30 H new ATOM 0 HA ASN A 13 13.672 8.579 -8.066 1.00 75.43 H new ATOM 0 HB2 ASN A 13 16.061 8.727 -7.677 1.00 5.35 H new ATOM 0 HB3 ASN A 13 16.419 7.881 -9.169 1.00 5.35 H new ATOM 0 HD21 ASN A 13 17.043 11.059 -10.564 1.00 31.22 H new ATOM 0 HD22 ASN A 13 17.707 9.518 -10.011 1.00 31.22 H new ATOM 205 N PHE A 14 12.521 8.473 -10.219 1.00 62.35 N ATOM 206 CA PHE A 14 11.888 8.661 -11.512 1.00 0.14 C ATOM 207 C PHE A 14 11.502 10.127 -11.674 1.00 75.23 C ATOM 208 O PHE A 14 10.552 10.601 -11.048 1.00 23.43 O ATOM 209 CB PHE A 14 10.653 7.766 -11.641 1.00 41.22 C ATOM 210 CG PHE A 14 10.030 7.781 -13.012 1.00 21.33 C ATOM 211 CD1 PHE A 14 8.989 8.646 -13.310 1.00 5.43 C ATOM 212 CD2 PHE A 14 10.485 6.924 -14.002 1.00 23.12 C ATOM 213 CE1 PHE A 14 8.414 8.658 -14.567 1.00 32.32 C ATOM 214 CE2 PHE A 14 9.914 6.931 -15.261 1.00 54.41 C ATOM 215 CZ PHE A 14 8.878 7.798 -15.544 1.00 3.14 C ATOM 0 H PHE A 14 11.950 8.767 -9.426 1.00 62.35 H new ATOM 0 HA PHE A 14 12.589 8.383 -12.299 1.00 0.14 H new ATOM 0 HB2 PHE A 14 10.930 6.742 -11.390 1.00 41.22 H new ATOM 0 HB3 PHE A 14 9.909 8.083 -10.911 1.00 41.22 H new ATOM 0 HD1 PHE A 14 8.622 9.320 -12.550 1.00 5.43 H new ATOM 0 HD2 PHE A 14 11.295 6.243 -13.787 1.00 23.12 H new ATOM 0 HE1 PHE A 14 7.604 9.338 -14.785 1.00 32.32 H new ATOM 0 HE2 PHE A 14 10.279 6.258 -16.023 1.00 54.41 H new ATOM 0 HZ PHE A 14 8.431 7.804 -16.527 1.00 3.14 H new ATOM 225 N GLY A 15 12.264 10.852 -12.480 1.00 54.15 N ATOM 226 CA GLY A 15 11.991 12.258 -12.685 1.00 71.23 C ATOM 227 C GLY A 15 13.053 12.931 -13.526 1.00 65.22 C ATOM 228 O GLY A 15 13.614 13.955 -13.130 1.00 42.44 O ATOM 0 H GLY A 15 13.067 10.491 -12.995 1.00 54.15 H new ATOM 0 HA2 GLY A 15 11.021 12.371 -13.169 1.00 71.23 H new ATOM 0 HA3 GLY A 15 11.925 12.758 -11.719 1.00 71.23 H new ATOM 232 N GLY A 16 13.344 12.346 -14.677 1.00 14.53 N ATOM 233 CA GLY A 16 14.316 12.923 -15.582 1.00 0.24 C ATOM 234 C GLY A 16 13.648 13.673 -16.716 1.00 22.35 C ATOM 235 O GLY A 16 13.128 13.063 -17.652 1.00 73.33 O ATOM 0 H GLY A 16 12.922 11.476 -15.003 1.00 14.53 H new ATOM 0 HA2 GLY A 16 14.968 13.601 -15.032 1.00 0.24 H new ATOM 0 HA3 GLY A 16 14.947 12.134 -15.990 1.00 0.24 H new ATOM 239 N ASN A 17 13.648 14.996 -16.630 1.00 43.33 N ATOM 240 CA ASN A 17 12.993 15.826 -17.633 1.00 1.12 C ATOM 241 C ASN A 17 14.014 16.715 -18.336 1.00 62.33 C ATOM 242 O ASN A 17 15.022 17.099 -17.736 1.00 61.32 O ATOM 243 CB ASN A 17 11.892 16.674 -16.984 1.00 21.55 C ATOM 244 CG ASN A 17 10.774 15.824 -16.401 1.00 72.14 C ATOM 245 OD1 ASN A 17 9.830 15.461 -17.102 1.00 51.22 O ATOM 246 ND2 ASN A 17 10.862 15.503 -15.115 1.00 0.34 N ATOM 0 H ASN A 17 14.094 15.518 -15.876 1.00 43.33 H new ATOM 0 HA ASN A 17 12.533 15.177 -18.379 1.00 1.12 H new ATOM 0 HB2 ASN A 17 12.327 17.288 -16.195 1.00 21.55 H new ATOM 0 HB3 ASN A 17 11.477 17.356 -17.726 1.00 21.55 H new ATOM 0 HD21 ASN A 17 10.133 14.938 -14.679 1.00 0.34 H new ATOM 0 HD22 ASN A 17 11.659 15.821 -14.563 1.00 0.34 H new ATOM 253 N PRO A 18 13.776 17.037 -19.622 1.00 24.35 N ATOM 254 CA PRO A 18 14.713 17.807 -20.445 1.00 21.23 C ATOM 255 C PRO A 18 14.695 19.310 -20.152 1.00 14.44 C ATOM 256 O PRO A 18 13.868 20.043 -20.692 1.00 61.41 O ATOM 257 CB PRO A 18 14.246 17.543 -21.889 1.00 45.30 C ATOM 258 CG PRO A 18 13.120 16.561 -21.794 1.00 32.23 C ATOM 259 CD PRO A 18 12.585 16.660 -20.395 1.00 15.21 C ATOM 0 HA PRO A 18 15.740 17.501 -20.246 1.00 21.23 H new ATOM 0 HB2 PRO A 18 13.917 18.466 -22.366 1.00 45.30 H new ATOM 0 HB3 PRO A 18 15.060 17.144 -22.494 1.00 45.30 H new ATOM 0 HG2 PRO A 18 12.343 16.790 -22.524 1.00 32.23 H new ATOM 0 HG3 PRO A 18 13.468 15.550 -22.006 1.00 32.23 H new ATOM 0 HD2 PRO A 18 11.796 17.408 -20.315 1.00 15.21 H new ATOM 0 HD3 PRO A 18 12.163 15.714 -20.054 1.00 15.21 H new ATOM 267 N ASN A 19 15.608 19.726 -19.269 1.00 23.42 N ATOM 268 CA ASN A 19 15.884 21.141 -18.957 1.00 64.52 C ATOM 269 C ASN A 19 14.631 21.989 -18.708 1.00 63.24 C ATOM 270 O ASN A 19 14.171 22.110 -17.571 1.00 74.52 O ATOM 271 CB ASN A 19 16.719 21.790 -20.069 1.00 34.52 C ATOM 272 CG ASN A 19 18.183 21.392 -20.028 1.00 65.20 C ATOM 273 OD1 ASN A 19 18.537 20.292 -19.597 1.00 30.24 O ATOM 274 ND2 ASN A 19 19.048 22.288 -20.474 1.00 44.43 N ATOM 0 H ASN A 19 16.190 19.079 -18.738 1.00 23.42 H new ATOM 0 HA ASN A 19 16.441 21.121 -18.020 1.00 64.52 H new ATOM 0 HB2 ASN A 19 16.301 21.513 -21.037 1.00 34.52 H new ATOM 0 HB3 ASN A 19 16.642 22.874 -19.987 1.00 34.52 H new ATOM 0 HD21 ASN A 19 20.046 22.080 -20.469 1.00 44.43 H new ATOM 0 HD22 ASN A 19 18.716 23.187 -20.823 1.00 44.43 H new ATOM 281 N ASN A 20 14.070 22.548 -19.776 1.00 0.34 N ATOM 282 CA ASN A 20 13.001 23.532 -19.662 1.00 2.02 C ATOM 283 C ASN A 20 12.519 23.948 -21.044 1.00 40.34 C ATOM 284 O ASN A 20 13.027 23.469 -22.059 1.00 74.24 O ATOM 285 CB ASN A 20 13.495 24.776 -18.900 1.00 1.51 C ATOM 286 CG ASN A 20 14.656 25.476 -19.598 1.00 51.11 C ATOM 287 OD1 ASN A 20 15.819 25.147 -19.370 1.00 52.43 O ATOM 288 ND2 ASN A 20 14.354 26.454 -20.442 1.00 2.01 N ATOM 0 H ASN A 20 14.341 22.334 -20.736 1.00 0.34 H new ATOM 0 HA ASN A 20 12.176 23.078 -19.112 1.00 2.02 H new ATOM 0 HB2 ASN A 20 12.669 25.478 -18.786 1.00 1.51 H new ATOM 0 HB3 ASN A 20 13.804 24.483 -17.897 1.00 1.51 H new ATOM 0 HD21 ASN A 20 15.097 26.959 -20.925 1.00 2.01 H new ATOM 0 HD22 ASN A 20 13.378 26.701 -20.608 1.00 2.01 H new ATOM 295 N GLY A 21 11.547 24.847 -21.074 1.00 62.44 N ATOM 296 CA GLY A 21 11.069 25.398 -22.329 1.00 13.55 C ATOM 297 C GLY A 21 11.240 26.902 -22.370 1.00 0.45 C ATOM 298 O GLY A 21 11.717 27.455 -23.366 1.00 25.41 O ATOM 0 H GLY A 21 11.076 25.209 -20.245 1.00 62.44 H new ATOM 0 HA2 GLY A 21 11.613 24.945 -23.158 1.00 13.55 H new ATOM 0 HA3 GLY A 21 10.017 25.146 -22.462 1.00 13.55 H new ATOM 302 N ALA A 22 10.842 27.552 -21.274 1.00 11.14 N ATOM 303 CA ALA A 22 10.998 28.995 -21.092 1.00 24.15 C ATOM 304 C ALA A 22 10.185 29.787 -22.114 1.00 21.32 C ATOM 305 O ALA A 22 9.333 29.235 -22.811 1.00 64.10 O ATOM 306 CB ALA A 22 12.469 29.386 -21.139 1.00 21.11 C ATOM 0 H ALA A 22 10.399 27.087 -20.482 1.00 11.14 H new ATOM 0 HA ALA A 22 10.607 29.247 -20.106 1.00 24.15 H new ATOM 0 HB1 ALA A 22 12.564 30.463 -21.002 1.00 21.11 H new ATOM 0 HB2 ALA A 22 13.008 28.870 -20.344 1.00 21.11 H new ATOM 0 HB3 ALA A 22 12.890 29.105 -22.105 1.00 21.11 H new ATOM 312 N PHE A 23 10.442 31.086 -22.184 1.00 32.04 N ATOM 313 CA PHE A 23 9.699 31.969 -23.068 1.00 53.22 C ATOM 314 C PHE A 23 10.660 32.836 -23.866 1.00 65.32 C ATOM 315 O PHE A 23 11.725 33.209 -23.371 1.00 62.34 O ATOM 316 CB PHE A 23 8.734 32.848 -22.264 1.00 65.22 C ATOM 317 CG PHE A 23 9.411 33.736 -21.257 1.00 71.25 C ATOM 318 CD1 PHE A 23 9.680 35.063 -21.554 1.00 53.43 C ATOM 319 CD2 PHE A 23 9.774 33.244 -20.015 1.00 21.43 C ATOM 320 CE1 PHE A 23 10.300 35.882 -20.632 1.00 0.12 C ATOM 321 CE2 PHE A 23 10.397 34.059 -19.089 1.00 3.24 C ATOM 322 CZ PHE A 23 10.659 35.379 -19.398 1.00 64.54 C ATOM 0 H PHE A 23 11.164 31.552 -21.635 1.00 32.04 H new ATOM 0 HA PHE A 23 9.115 31.360 -23.758 1.00 53.22 H new ATOM 0 HB2 PHE A 23 8.163 33.468 -22.955 1.00 65.22 H new ATOM 0 HB3 PHE A 23 8.020 32.207 -21.746 1.00 65.22 H new ATOM 0 HD1 PHE A 23 9.401 35.461 -22.519 1.00 53.43 H new ATOM 0 HD2 PHE A 23 9.568 32.213 -19.767 1.00 21.43 H new ATOM 0 HE1 PHE A 23 10.504 36.914 -20.876 1.00 0.12 H new ATOM 0 HE2 PHE A 23 10.679 33.664 -18.124 1.00 3.24 H new ATOM 0 HZ PHE A 23 11.144 36.017 -18.675 1.00 64.54 H new ATOM 332 N LEU A 24 10.297 33.135 -25.104 1.00 53.34 N ATOM 333 CA LEU A 24 11.121 33.972 -25.962 1.00 51.34 C ATOM 334 C LEU A 24 10.421 35.295 -26.230 1.00 45.44 C ATOM 335 O LEU A 24 9.360 35.316 -26.859 1.00 10.11 O ATOM 336 CB LEU A 24 11.435 33.280 -27.298 1.00 62.32 C ATOM 337 CG LEU A 24 12.241 31.979 -27.210 1.00 3.14 C ATOM 338 CD1 LEU A 24 11.352 30.810 -26.809 1.00 23.03 C ATOM 339 CD2 LEU A 24 12.931 31.698 -28.536 1.00 11.23 C ATOM 0 H LEU A 24 9.434 32.809 -25.538 1.00 53.34 H new ATOM 0 HA LEU A 24 12.062 34.150 -25.441 1.00 51.34 H new ATOM 0 HB2 LEU A 24 10.493 33.067 -27.804 1.00 62.32 H new ATOM 0 HB3 LEU A 24 11.983 33.981 -27.927 1.00 62.32 H new ATOM 0 HG LEU A 24 13.001 32.099 -26.438 1.00 3.14 H new ATOM 0 HD11 LEU A 24 11.950 29.900 -26.754 1.00 23.03 H new ATOM 0 HD12 LEU A 24 10.905 31.010 -25.835 1.00 23.03 H new ATOM 0 HD13 LEU A 24 10.563 30.682 -27.550 1.00 23.03 H new ATOM 0 HD21 LEU A 24 13.500 30.771 -28.461 1.00 11.23 H new ATOM 0 HD22 LEU A 24 12.182 31.601 -29.322 1.00 11.23 H new ATOM 0 HD23 LEU A 24 13.606 32.520 -28.776 1.00 11.23 H new ATOM 351 N LEU A 25 11.016 36.381 -25.730 1.00 14.23 N ATOM 352 CA LEU A 25 10.509 37.751 -25.917 1.00 22.42 C ATOM 353 C LEU A 25 9.013 37.861 -25.598 1.00 42.44 C ATOM 354 O LEU A 25 8.443 36.987 -24.939 1.00 41.32 O ATOM 355 CB LEU A 25 10.836 38.271 -27.339 1.00 52.44 C ATOM 356 CG LEU A 25 10.337 37.436 -28.532 1.00 3.52 C ATOM 357 CD1 LEU A 25 8.901 37.784 -28.895 1.00 35.34 C ATOM 358 CD2 LEU A 25 11.252 37.629 -29.729 1.00 34.05 C ATOM 0 H LEU A 25 11.872 36.338 -25.178 1.00 14.23 H new ATOM 0 HA LEU A 25 11.024 38.392 -25.202 1.00 22.42 H new ATOM 0 HB2 LEU A 25 10.422 39.275 -27.434 1.00 52.44 H new ATOM 0 HB3 LEU A 25 11.919 38.364 -27.423 1.00 52.44 H new ATOM 0 HG LEU A 25 10.357 36.387 -28.238 1.00 3.52 H new ATOM 0 HD11 LEU A 25 8.582 37.175 -29.741 1.00 35.34 H new ATOM 0 HD12 LEU A 25 8.252 37.587 -28.042 1.00 35.34 H new ATOM 0 HD13 LEU A 25 8.839 38.839 -29.163 1.00 35.34 H new ATOM 0 HD21 LEU A 25 10.887 37.033 -30.566 1.00 34.05 H new ATOM 0 HD22 LEU A 25 11.264 38.682 -30.012 1.00 34.05 H new ATOM 0 HD23 LEU A 25 12.262 37.311 -29.470 1.00 34.05 H new ATOM 370 N ASN A 26 8.401 38.969 -26.002 1.00 73.20 N ATOM 371 CA ASN A 26 6.953 39.139 -25.898 1.00 60.40 C ATOM 372 C ASN A 26 6.532 40.419 -26.607 1.00 55.24 C ATOM 373 O ASN A 26 6.190 40.398 -27.787 1.00 70.31 O ATOM 374 CB ASN A 26 6.491 39.177 -24.434 1.00 52.12 C ATOM 375 CG ASN A 26 4.979 39.161 -24.303 1.00 31.52 C ATOM 376 OD1 ASN A 26 4.332 40.210 -24.334 1.00 61.41 O ATOM 377 ND2 ASN A 26 4.410 37.978 -24.147 1.00 0.40 N ATOM 0 H ASN A 26 8.888 39.769 -26.407 1.00 73.20 H new ATOM 0 HA ASN A 26 6.480 38.281 -26.375 1.00 60.40 H new ATOM 0 HB2 ASN A 26 6.908 38.322 -23.902 1.00 52.12 H new ATOM 0 HB3 ASN A 26 6.885 40.073 -23.955 1.00 52.12 H new ATOM 0 HD21 ASN A 26 3.397 37.908 -24.047 1.00 0.40 H new ATOM 0 HD22 ASN A 26 4.984 37.135 -24.127 1.00 0.40 H new ATOM 384 N SER A 27 6.600 41.531 -25.879 1.00 41.42 N ATOM 385 CA SER A 27 6.281 42.854 -26.408 1.00 71.35 C ATOM 386 C SER A 27 6.371 43.877 -25.284 1.00 32.44 C ATOM 387 O SER A 27 5.916 43.617 -24.169 1.00 10.41 O ATOM 388 CB SER A 27 4.879 42.880 -27.035 1.00 30.22 C ATOM 389 OG SER A 27 3.901 42.356 -26.149 1.00 62.34 O ATOM 0 H SER A 27 6.880 41.539 -24.898 1.00 41.42 H new ATOM 0 HA SER A 27 6.999 43.100 -27.191 1.00 71.35 H new ATOM 0 HB2 SER A 27 4.618 43.904 -27.302 1.00 30.22 H new ATOM 0 HB3 SER A 27 4.882 42.301 -27.958 1.00 30.22 H new ATOM 0 HG SER A 27 4.275 41.591 -25.664 1.00 62.34 H new ATOM 395 N ALA A 28 6.971 45.024 -25.562 1.00 11.40 N ATOM 396 CA ALA A 28 7.141 46.053 -24.548 1.00 74.12 C ATOM 397 C ALA A 28 6.961 47.438 -25.150 1.00 32.20 C ATOM 398 O ALA A 28 7.613 47.784 -26.136 1.00 40.33 O ATOM 399 CB ALA A 28 8.510 45.932 -23.898 1.00 11.11 C ATOM 0 H ALA A 28 7.347 45.265 -26.479 1.00 11.40 H new ATOM 0 HA ALA A 28 6.377 45.911 -23.784 1.00 74.12 H new ATOM 0 HB1 ALA A 28 8.623 46.708 -23.141 1.00 11.11 H new ATOM 0 HB2 ALA A 28 8.605 44.952 -23.430 1.00 11.11 H new ATOM 0 HB3 ALA A 28 9.284 46.049 -24.656 1.00 11.11 H new ATOM 405 N GLN A 29 6.061 48.217 -24.564 1.00 51.32 N ATOM 406 CA GLN A 29 5.811 49.580 -25.015 1.00 50.44 C ATOM 407 C GLN A 29 5.900 50.545 -23.839 1.00 51.32 C ATOM 408 O GLN A 29 5.233 50.361 -22.819 1.00 65.31 O ATOM 409 CB GLN A 29 4.445 49.688 -25.696 1.00 25.01 C ATOM 410 CG GLN A 29 4.308 48.801 -26.922 1.00 22.41 C ATOM 411 CD GLN A 29 3.035 49.066 -27.698 1.00 13.34 C ATOM 412 OE1 GLN A 29 3.010 49.913 -28.592 1.00 43.24 O ATOM 413 NE2 GLN A 29 1.974 48.348 -27.368 1.00 45.43 N ATOM 0 H GLN A 29 5.489 47.926 -23.771 1.00 51.32 H new ATOM 0 HA GLN A 29 6.574 49.846 -25.747 1.00 50.44 H new ATOM 0 HB2 GLN A 29 3.668 49.425 -24.978 1.00 25.01 H new ATOM 0 HB3 GLN A 29 4.273 50.725 -25.986 1.00 25.01 H new ATOM 0 HG2 GLN A 29 5.166 48.957 -27.576 1.00 22.41 H new ATOM 0 HG3 GLN A 29 4.329 47.756 -26.613 1.00 22.41 H new ATOM 0 HE21 GLN A 29 2.038 47.657 -26.621 1.00 45.43 H new ATOM 0 HE22 GLN A 29 1.092 48.486 -27.861 1.00 45.43 H new ATOM 422 N ALA A 30 6.725 51.570 -23.988 1.00 32.35 N ATOM 423 CA ALA A 30 7.002 52.489 -22.890 1.00 75.25 C ATOM 424 C ALA A 30 6.171 53.759 -22.994 1.00 2.24 C ATOM 425 O ALA A 30 6.364 54.705 -22.227 1.00 44.53 O ATOM 426 CB ALA A 30 8.486 52.824 -22.852 1.00 53.52 C ATOM 0 H ALA A 30 7.215 51.788 -24.856 1.00 32.35 H new ATOM 0 HA ALA A 30 6.723 51.993 -21.960 1.00 75.25 H new ATOM 0 HB1 ALA A 30 8.683 53.511 -22.029 1.00 53.52 H new ATOM 0 HB2 ALA A 30 9.062 51.910 -22.708 1.00 53.52 H new ATOM 0 HB3 ALA A 30 8.778 53.292 -23.792 1.00 53.52 H new ATOM 432 N GLN A 31 5.244 53.783 -23.940 1.00 62.43 N ATOM 433 CA GLN A 31 4.386 54.943 -24.117 1.00 45.15 C ATOM 434 C GLN A 31 3.113 54.819 -23.278 1.00 11.34 C ATOM 435 O GLN A 31 2.071 54.366 -23.755 1.00 33.30 O ATOM 436 CB GLN A 31 4.058 55.165 -25.598 1.00 15.14 C ATOM 437 CG GLN A 31 3.534 53.932 -26.320 1.00 52.33 C ATOM 438 CD GLN A 31 3.234 54.203 -27.780 1.00 4.22 C ATOM 439 OE1 GLN A 31 4.092 54.037 -28.647 1.00 75.53 O ATOM 440 NE2 GLN A 31 2.010 54.622 -28.063 1.00 5.45 N ATOM 0 H GLN A 31 5.068 53.018 -24.592 1.00 62.43 H new ATOM 0 HA GLN A 31 4.930 55.819 -23.764 1.00 45.15 H new ATOM 0 HB2 GLN A 31 3.316 55.960 -25.678 1.00 15.14 H new ATOM 0 HB3 GLN A 31 4.956 55.515 -26.108 1.00 15.14 H new ATOM 0 HG2 GLN A 31 4.269 53.131 -26.245 1.00 52.33 H new ATOM 0 HG3 GLN A 31 2.629 53.581 -25.825 1.00 52.33 H new ATOM 0 HE21 GLN A 31 1.328 54.747 -27.315 1.00 5.45 H new ATOM 0 HE22 GLN A 31 1.749 54.820 -29.029 1.00 5.45 H new ATOM 449 N ASN A 32 3.228 55.194 -22.010 1.00 32.35 N ATOM 450 CA ASN A 32 2.107 55.169 -21.076 1.00 60.00 C ATOM 451 C ASN A 32 2.421 56.065 -19.883 1.00 24.31 C ATOM 452 O ASN A 32 3.461 56.724 -19.869 1.00 12.35 O ATOM 453 CB ASN A 32 1.812 53.735 -20.605 1.00 55.23 C ATOM 454 CG ASN A 32 2.935 53.118 -19.783 1.00 52.21 C ATOM 455 OD1 ASN A 32 2.986 53.275 -18.563 1.00 64.01 O ATOM 456 ND2 ASN A 32 3.829 52.395 -20.442 1.00 12.22 N ATOM 0 H ASN A 32 4.101 55.524 -21.599 1.00 32.35 H new ATOM 0 HA ASN A 32 1.218 55.541 -21.586 1.00 60.00 H new ATOM 0 HB2 ASN A 32 0.898 53.738 -20.011 1.00 55.23 H new ATOM 0 HB3 ASN A 32 1.624 53.107 -21.476 1.00 55.23 H new ATOM 0 HD21 ASN A 32 4.593 51.945 -19.938 1.00 12.22 H new ATOM 0 HD22 ASN A 32 3.753 52.288 -21.454 1.00 12.22 H new ATOM 463 N SER A 33 1.521 56.088 -18.900 1.00 43.41 N ATOM 464 CA SER A 33 1.696 56.898 -17.694 1.00 24.32 C ATOM 465 C SER A 33 1.756 58.390 -18.037 1.00 0.13 C ATOM 466 O SER A 33 2.485 59.162 -17.412 1.00 23.01 O ATOM 467 CB SER A 33 2.958 56.460 -16.941 1.00 74.21 C ATOM 468 OG SER A 33 2.875 55.091 -16.567 1.00 5.52 O ATOM 0 H SER A 33 0.655 55.549 -18.916 1.00 43.41 H new ATOM 0 HA SER A 33 0.833 56.742 -17.047 1.00 24.32 H new ATOM 0 HB2 SER A 33 3.835 56.617 -17.570 1.00 74.21 H new ATOM 0 HB3 SER A 33 3.089 57.077 -16.052 1.00 74.21 H new ATOM 0 HG SER A 33 2.795 54.536 -17.371 1.00 5.52 H new ATOM 474 N TYR A 34 0.954 58.790 -19.018 1.00 44.31 N ATOM 475 CA TYR A 34 0.881 60.188 -19.440 1.00 61.24 C ATOM 476 C TYR A 34 -0.256 60.911 -18.717 1.00 73.24 C ATOM 477 O TYR A 34 -0.630 62.029 -19.075 1.00 62.43 O ATOM 478 CB TYR A 34 0.684 60.274 -20.960 1.00 13.13 C ATOM 479 CG TYR A 34 -0.531 59.523 -21.467 1.00 74.24 C ATOM 480 CD1 TYR A 34 -1.766 60.150 -21.587 1.00 25.42 C ATOM 481 CD2 TYR A 34 -0.440 58.183 -21.822 1.00 64.13 C ATOM 482 CE1 TYR A 34 -2.874 59.464 -22.041 1.00 53.30 C ATOM 483 CE2 TYR A 34 -1.543 57.492 -22.280 1.00 70.13 C ATOM 484 CZ TYR A 34 -2.756 58.135 -22.387 1.00 21.34 C ATOM 485 OH TYR A 34 -3.858 57.445 -22.834 1.00 74.43 O ATOM 0 H TYR A 34 0.341 58.163 -19.540 1.00 44.31 H new ATOM 0 HA TYR A 34 1.820 60.676 -19.179 1.00 61.24 H new ATOM 0 HB2 TYR A 34 0.596 61.322 -21.246 1.00 13.13 H new ATOM 0 HB3 TYR A 34 1.573 59.882 -21.454 1.00 13.13 H new ATOM 0 HD1 TYR A 34 -1.860 61.192 -21.320 1.00 25.42 H new ATOM 0 HD2 TYR A 34 0.509 57.674 -21.738 1.00 64.13 H new ATOM 0 HE1 TYR A 34 -3.827 59.965 -22.125 1.00 53.30 H new ATOM 0 HE2 TYR A 34 -1.455 56.451 -22.554 1.00 70.13 H new ATOM 0 HH TYR A 34 -3.605 56.520 -23.037 1.00 74.43 H new ATOM 495 N LYS A 35 -0.798 60.260 -17.699 1.00 52.32 N ATOM 496 CA LYS A 35 -1.890 60.816 -16.919 1.00 32.34 C ATOM 497 C LYS A 35 -1.358 61.224 -15.545 1.00 3.52 C ATOM 498 O LYS A 35 -0.186 60.977 -15.255 1.00 34.43 O ATOM 499 CB LYS A 35 -3.019 59.781 -16.800 1.00 4.45 C ATOM 500 CG LYS A 35 -4.367 60.363 -16.400 1.00 64.01 C ATOM 501 CD LYS A 35 -4.768 61.512 -17.309 1.00 53.33 C ATOM 502 CE LYS A 35 -6.123 62.080 -16.926 1.00 71.43 C ATOM 503 NZ LYS A 35 -7.221 61.090 -17.100 1.00 25.44 N1+ ATOM 0 H LYS A 35 -0.494 59.336 -17.392 1.00 52.32 H new ATOM 0 HA LYS A 35 -2.298 61.699 -17.410 1.00 32.34 H new ATOM 0 HB2 LYS A 35 -3.128 59.269 -17.756 1.00 4.45 H new ATOM 0 HB3 LYS A 35 -2.730 59.029 -16.066 1.00 4.45 H new ATOM 0 HG2 LYS A 35 -5.128 59.583 -16.440 1.00 64.01 H new ATOM 0 HG3 LYS A 35 -4.322 60.712 -15.368 1.00 64.01 H new ATOM 0 HD2 LYS A 35 -4.015 62.298 -17.256 1.00 53.33 H new ATOM 0 HD3 LYS A 35 -4.796 61.166 -18.342 1.00 53.33 H new ATOM 0 HE2 LYS A 35 -6.096 62.410 -15.887 1.00 71.43 H new ATOM 0 HE3 LYS A 35 -6.331 62.960 -17.535 1.00 71.43 H new ATOM 0 HZ1 LYS A 35 -8.139 61.570 -17.008 1.00 25.44 H new ATOM 0 HZ2 LYS A 35 -7.151 60.655 -18.042 1.00 25.44 H new ATOM 0 HZ3 LYS A 35 -7.142 60.352 -16.372 1.00 25.44 H new ATOM 517 N ASP A 36 -2.218 61.829 -14.716 1.00 74.53 N ATOM 518 CA ASP A 36 -1.824 62.357 -13.405 1.00 12.22 C ATOM 519 C ASP A 36 -0.931 61.387 -12.636 1.00 2.12 C ATOM 520 O ASP A 36 -1.125 60.167 -12.685 1.00 1.02 O ATOM 521 CB ASP A 36 -3.067 62.682 -12.565 1.00 13.10 C ATOM 522 CG ASP A 36 -3.828 63.890 -13.073 1.00 53.20 C ATOM 523 OD1 ASP A 36 -3.475 65.028 -12.684 1.00 0.23 O ATOM 524 OD2 ASP A 36 -4.788 63.712 -13.856 1.00 61.43 O1- ATOM 0 H ASP A 36 -3.205 61.966 -14.935 1.00 74.53 H new ATOM 0 HA ASP A 36 -1.252 63.266 -13.588 1.00 12.22 H new ATOM 0 HB2 ASP A 36 -3.731 61.818 -12.560 1.00 13.10 H new ATOM 0 HB3 ASP A 36 -2.765 62.858 -11.533 1.00 13.10 H new ATOM 529 N PRO A 37 0.054 61.937 -11.904 1.00 13.20 N ATOM 530 CA PRO A 37 1.063 61.151 -11.188 1.00 63.51 C ATOM 531 C PRO A 37 0.473 60.197 -10.159 1.00 54.33 C ATOM 532 O PRO A 37 -0.596 60.434 -9.591 1.00 45.11 O ATOM 533 CB PRO A 37 1.933 62.209 -10.495 1.00 21.24 C ATOM 534 CG PRO A 37 1.107 63.448 -10.490 1.00 41.34 C ATOM 535 CD PRO A 37 0.270 63.380 -11.732 1.00 70.22 C ATOM 0 HA PRO A 37 1.611 60.507 -11.876 1.00 63.51 H new ATOM 0 HB2 PRO A 37 2.192 61.904 -9.481 1.00 21.24 H new ATOM 0 HB3 PRO A 37 2.870 62.362 -11.031 1.00 21.24 H new ATOM 0 HG2 PRO A 37 0.482 63.499 -9.598 1.00 41.34 H new ATOM 0 HG3 PRO A 37 1.736 64.338 -10.489 1.00 41.34 H new ATOM 0 HD2 PRO A 37 -0.671 63.918 -11.615 1.00 70.22 H new ATOM 0 HD3 PRO A 37 0.783 63.817 -12.589 1.00 70.22 H new ATOM 543 N SER A 38 1.205 59.126 -9.914 1.00 14.04 N ATOM 544 CA SER A 38 0.790 58.090 -8.990 1.00 55.00 C ATOM 545 C SER A 38 2.030 57.521 -8.316 1.00 15.51 C ATOM 546 O SER A 38 2.124 56.315 -8.069 1.00 61.15 O ATOM 547 CB SER A 38 0.022 56.993 -9.747 1.00 62.11 C ATOM 548 OG SER A 38 -0.511 56.013 -8.867 1.00 2.22 O ATOM 0 H SER A 38 2.109 58.951 -10.353 1.00 14.04 H new ATOM 0 HA SER A 38 0.125 58.501 -8.231 1.00 55.00 H new ATOM 0 HB2 SER A 38 -0.788 57.446 -10.319 1.00 62.11 H new ATOM 0 HB3 SER A 38 0.688 56.513 -10.464 1.00 62.11 H new ATOM 0 HG SER A 38 0.170 55.758 -8.210 1.00 2.22 H new ATOM 554 N TYR A 39 2.971 58.426 -8.020 1.00 43.44 N ATOM 555 CA TYR A 39 4.282 58.078 -7.472 1.00 20.45 C ATOM 556 C TYR A 39 5.149 57.440 -8.558 1.00 62.10 C ATOM 557 O TYR A 39 4.637 57.003 -9.591 1.00 24.30 O ATOM 558 CB TYR A 39 4.142 57.157 -6.251 1.00 32.34 C ATOM 559 CG TYR A 39 5.375 57.100 -5.377 1.00 55.01 C ATOM 560 CD1 TYR A 39 6.206 55.988 -5.379 1.00 1.41 C ATOM 561 CD2 TYR A 39 5.705 58.163 -4.545 1.00 62.40 C ATOM 562 CE1 TYR A 39 7.330 55.937 -4.579 1.00 74.42 C ATOM 563 CE2 TYR A 39 6.827 58.120 -3.741 1.00 23.44 C ATOM 564 CZ TYR A 39 7.638 57.004 -3.762 1.00 40.22 C ATOM 565 OH TYR A 39 8.757 56.951 -2.961 1.00 3.35 O ATOM 0 H TYR A 39 2.840 59.428 -8.156 1.00 43.44 H new ATOM 0 HA TYR A 39 4.774 58.990 -7.133 1.00 20.45 H new ATOM 0 HB2 TYR A 39 3.298 57.495 -5.649 1.00 32.34 H new ATOM 0 HB3 TYR A 39 3.906 56.150 -6.594 1.00 32.34 H new ATOM 0 HD1 TYR A 39 5.969 55.149 -6.017 1.00 1.41 H new ATOM 0 HD2 TYR A 39 5.073 59.038 -4.527 1.00 62.40 H new ATOM 0 HE1 TYR A 39 7.966 55.064 -4.593 1.00 74.42 H new ATOM 0 HE2 TYR A 39 7.068 58.955 -3.100 1.00 23.44 H new ATOM 0 HH TYR A 39 8.832 57.783 -2.448 1.00 3.35 H new ATOM 575 N ASN A 40 6.467 57.438 -8.340 1.00 65.22 N ATOM 576 CA ASN A 40 7.444 56.909 -9.307 1.00 3.22 C ATOM 577 C ASN A 40 7.572 57.831 -10.519 1.00 70.45 C ATOM 578 O ASN A 40 8.300 57.539 -11.470 1.00 15.21 O ATOM 579 CB ASN A 40 7.076 55.489 -9.764 1.00 75.20 C ATOM 580 CG ASN A 40 7.150 54.469 -8.645 1.00 64.02 C ATOM 581 OD1 ASN A 40 7.948 54.599 -7.718 1.00 40.50 O ATOM 582 ND2 ASN A 40 6.322 53.440 -8.732 1.00 70.04 N ATOM 0 H ASN A 40 6.892 57.803 -7.487 1.00 65.22 H new ATOM 0 HA ASN A 40 8.406 56.864 -8.797 1.00 3.22 H new ATOM 0 HB2 ASN A 40 6.067 55.496 -10.176 1.00 75.20 H new ATOM 0 HB3 ASN A 40 7.747 55.187 -10.569 1.00 75.20 H new ATOM 0 HD21 ASN A 40 6.330 52.717 -8.013 1.00 70.04 H new ATOM 0 HD22 ASN A 40 5.676 53.371 -9.518 1.00 70.04 H new ATOM 589 N ASP A 41 6.866 58.951 -10.454 1.00 1.43 N ATOM 590 CA ASP A 41 6.936 60.001 -11.462 1.00 42.41 C ATOM 591 C ASP A 41 6.100 61.172 -10.989 1.00 73.04 C ATOM 592 O ASP A 41 4.958 60.995 -10.564 1.00 20.40 O ATOM 593 CB ASP A 41 6.425 59.533 -12.829 1.00 75.34 C ATOM 594 CG ASP A 41 6.602 60.601 -13.900 1.00 44.10 C ATOM 595 OD1 ASP A 41 5.735 61.495 -14.011 1.00 61.14 O ATOM 596 OD2 ASP A 41 7.612 60.551 -14.636 1.00 31.02 O1- ATOM 0 H ASP A 41 6.221 59.159 -9.692 1.00 1.43 H new ATOM 0 HA ASP A 41 7.981 60.284 -11.587 1.00 42.41 H new ATOM 0 HB2 ASP A 41 6.958 58.630 -13.126 1.00 75.34 H new ATOM 0 HB3 ASP A 41 5.370 59.269 -12.751 1.00 75.34 H new ATOM 601 N ASP A 42 6.676 62.356 -11.029 1.00 64.11 N ATOM 602 CA ASP A 42 5.997 63.545 -10.547 1.00 22.32 C ATOM 603 C ASP A 42 5.998 64.634 -11.608 1.00 12.21 C ATOM 604 O ASP A 42 5.807 65.815 -11.310 1.00 2.23 O ATOM 605 CB ASP A 42 6.663 64.044 -9.262 1.00 70.12 C ATOM 606 CG ASP A 42 8.110 64.464 -9.460 1.00 70.01 C ATOM 607 OD1 ASP A 42 8.442 65.629 -9.147 1.00 24.15 O ATOM 608 OD2 ASP A 42 8.924 63.631 -9.914 1.00 23.10 O1- ATOM 0 H ASP A 42 7.615 62.522 -11.391 1.00 64.11 H new ATOM 0 HA ASP A 42 4.960 63.289 -10.328 1.00 22.32 H new ATOM 0 HB2 ASP A 42 6.096 64.890 -8.872 1.00 70.12 H new ATOM 0 HB3 ASP A 42 6.620 63.257 -8.509 1.00 70.12 H new ATOM 613 N PHE A 43 6.180 64.223 -12.857 1.00 34.33 N ATOM 614 CA PHE A 43 6.199 65.157 -13.972 1.00 42.52 C ATOM 615 C PHE A 43 4.974 64.970 -14.853 1.00 55.15 C ATOM 616 O PHE A 43 4.583 65.882 -15.582 1.00 42.21 O ATOM 617 CB PHE A 43 7.472 64.985 -14.806 1.00 45.40 C ATOM 618 CG PHE A 43 8.738 65.218 -14.031 1.00 60.21 C ATOM 619 CD1 PHE A 43 9.611 64.175 -13.775 1.00 61.42 C ATOM 620 CD2 PHE A 43 9.046 66.479 -13.552 1.00 74.23 C ATOM 621 CE1 PHE A 43 10.769 64.386 -13.057 1.00 3.13 C ATOM 622 CE2 PHE A 43 10.205 66.697 -12.834 1.00 34.35 C ATOM 623 CZ PHE A 43 11.067 65.649 -12.585 1.00 75.22 C ATOM 0 H PHE A 43 6.317 63.247 -13.122 1.00 34.33 H new ATOM 0 HA PHE A 43 6.185 66.166 -13.561 1.00 42.52 H new ATOM 0 HB2 PHE A 43 7.491 63.977 -15.221 1.00 45.40 H new ATOM 0 HB3 PHE A 43 7.440 65.676 -15.649 1.00 45.40 H new ATOM 0 HD1 PHE A 43 9.383 63.185 -14.142 1.00 61.42 H new ATOM 0 HD2 PHE A 43 8.373 67.302 -13.742 1.00 74.23 H new ATOM 0 HE1 PHE A 43 11.442 63.564 -12.864 1.00 3.13 H new ATOM 0 HE2 PHE A 43 10.436 67.686 -12.468 1.00 34.35 H new ATOM 0 HZ PHE A 43 11.973 65.816 -12.022 1.00 75.22 H new ATOM 633 N GLY A 44 4.360 63.792 -14.767 1.00 3.11 N ATOM 634 CA GLY A 44 3.184 63.497 -15.568 1.00 42.15 C ATOM 635 C GLY A 44 1.932 64.179 -15.050 1.00 3.45 C ATOM 636 O GLY A 44 0.885 63.560 -14.926 1.00 74.52 O ATOM 0 H GLY A 44 4.658 63.033 -14.154 1.00 3.11 H new ATOM 0 HA2 GLY A 44 3.363 63.810 -16.597 1.00 42.15 H new ATOM 0 HA3 GLY A 44 3.024 62.419 -15.586 1.00 42.15 H new ATOM 640 N ILE A 45 2.043 65.459 -14.746 1.00 51.24 N ATOM 641 CA ILE A 45 0.903 66.228 -14.278 1.00 71.42 C ATOM 642 C ILE A 45 0.330 67.031 -15.441 1.00 20.41 C ATOM 643 O ILE A 45 -0.727 67.655 -15.326 1.00 25.51 O ATOM 644 CB ILE A 45 1.300 67.192 -13.135 1.00 34.42 C ATOM 645 CG1 ILE A 45 2.237 66.489 -12.147 1.00 11.31 C ATOM 646 CG2 ILE A 45 0.058 67.705 -12.413 1.00 54.24 C ATOM 647 CD1 ILE A 45 2.726 67.386 -11.027 1.00 75.24 C ATOM 0 H ILE A 45 2.912 65.989 -14.815 1.00 51.24 H new ATOM 0 HA ILE A 45 0.158 65.533 -13.891 1.00 71.42 H new ATOM 0 HB ILE A 45 1.825 68.044 -13.568 1.00 34.42 H new ATOM 0 HG12 ILE A 45 1.719 65.633 -11.715 1.00 11.31 H new ATOM 0 HG13 ILE A 45 3.098 66.099 -12.691 1.00 11.31 H new ATOM 0 HG21 ILE A 45 0.356 68.382 -11.612 1.00 54.24 H new ATOM 0 HG22 ILE A 45 -0.580 68.237 -13.119 1.00 54.24 H new ATOM 0 HG23 ILE A 45 -0.491 66.863 -11.991 1.00 54.24 H new ATOM 0 HD11 ILE A 45 3.384 66.819 -10.368 1.00 75.24 H new ATOM 0 HD12 ILE A 45 3.273 68.229 -11.449 1.00 75.24 H new ATOM 0 HD13 ILE A 45 1.873 67.755 -10.458 1.00 75.24 H new ATOM 659 N GLU A 46 1.045 66.982 -16.568 1.00 65.21 N ATOM 660 CA GLU A 46 0.717 67.769 -17.756 1.00 41.54 C ATOM 661 C GLU A 46 0.868 69.259 -17.443 1.00 5.12 C ATOM 662 O GLU A 46 0.265 70.121 -18.084 1.00 43.23 O ATOM 663 CB GLU A 46 -0.693 67.430 -18.255 1.00 55.55 C ATOM 664 CG GLU A 46 -0.972 67.900 -19.672 1.00 14.53 C ATOM 665 CD GLU A 46 -2.307 67.412 -20.184 1.00 0.14 C ATOM 666 OE1 GLU A 46 -3.340 68.012 -19.821 1.00 65.32 O ATOM 667 OE2 GLU A 46 -2.330 66.422 -20.948 1.00 5.55 O1- ATOM 0 H GLU A 46 1.870 66.393 -16.681 1.00 65.21 H new ATOM 0 HA GLU A 46 1.410 67.520 -18.560 1.00 41.54 H new ATOM 0 HB2 GLU A 46 -0.836 66.351 -18.206 1.00 55.55 H new ATOM 0 HB3 GLU A 46 -1.424 67.879 -17.583 1.00 55.55 H new ATOM 0 HG2 GLU A 46 -0.950 68.989 -19.702 1.00 14.53 H new ATOM 0 HG3 GLU A 46 -0.180 67.546 -20.333 1.00 14.53 H new ATOM 674 N THR A 47 1.698 69.544 -16.449 1.00 53.34 N ATOM 675 CA THR A 47 2.038 70.907 -16.085 1.00 11.21 C ATOM 676 C THR A 47 3.512 71.157 -16.393 1.00 2.33 C ATOM 677 O THR A 47 4.373 70.954 -15.539 1.00 31.14 O ATOM 678 CB THR A 47 1.771 71.172 -14.588 1.00 14.13 C ATOM 679 OG1 THR A 47 0.485 70.655 -14.216 1.00 60.32 O ATOM 680 CG2 THR A 47 1.827 72.660 -14.278 1.00 31.14 C ATOM 0 H THR A 47 2.153 68.835 -15.874 1.00 53.34 H new ATOM 0 HA THR A 47 1.412 71.584 -16.665 1.00 11.21 H new ATOM 0 HB THR A 47 2.548 70.667 -14.014 1.00 14.13 H new ATOM 0 HG1 THR A 47 0.326 70.827 -13.264 1.00 60.32 H new ATOM 0 HG21 THR A 47 1.635 72.818 -13.217 1.00 31.14 H new ATOM 0 HG22 THR A 47 2.814 73.047 -14.530 1.00 31.14 H new ATOM 0 HG23 THR A 47 1.072 73.183 -14.865 1.00 31.14 H new ATOM 688 N PRO A 48 3.824 71.548 -17.640 1.00 63.35 N ATOM 689 CA PRO A 48 5.207 71.687 -18.103 1.00 21.13 C ATOM 690 C PRO A 48 5.966 72.807 -17.398 1.00 23.22 C ATOM 691 O PRO A 48 5.818 73.983 -17.729 1.00 30.10 O ATOM 692 CB PRO A 48 5.069 71.993 -19.602 1.00 72.10 C ATOM 693 CG PRO A 48 3.657 71.661 -19.950 1.00 2.42 C ATOM 694 CD PRO A 48 2.864 71.894 -18.699 1.00 3.12 C ATOM 0 HA PRO A 48 5.783 70.786 -17.891 1.00 21.13 H new ATOM 0 HB2 PRO A 48 5.288 73.040 -19.810 1.00 72.10 H new ATOM 0 HB3 PRO A 48 5.768 71.398 -20.190 1.00 72.10 H new ATOM 0 HG2 PRO A 48 3.297 72.289 -20.764 1.00 2.42 H new ATOM 0 HG3 PRO A 48 3.569 70.627 -20.282 1.00 2.42 H new ATOM 0 HD2 PRO A 48 2.528 72.928 -18.619 1.00 3.12 H new ATOM 0 HD3 PRO A 48 1.974 71.266 -18.660 1.00 3.12 H new ATOM 702 N SER A 49 6.761 72.431 -16.409 1.00 1.52 N ATOM 703 CA SER A 49 7.637 73.368 -15.729 1.00 71.45 C ATOM 704 C SER A 49 9.060 72.822 -15.718 1.00 5.40 C ATOM 705 O SER A 49 9.977 73.428 -16.272 1.00 55.33 O ATOM 706 CB SER A 49 7.142 73.617 -14.300 1.00 4.01 C ATOM 707 OG SER A 49 5.782 74.026 -14.298 1.00 52.25 O ATOM 0 H SER A 49 6.817 71.475 -16.058 1.00 1.52 H new ATOM 0 HA SER A 49 7.629 74.319 -16.262 1.00 71.45 H new ATOM 0 HB2 SER A 49 7.253 72.708 -13.709 1.00 4.01 H new ATOM 0 HB3 SER A 49 7.757 74.382 -13.826 1.00 4.01 H new ATOM 0 HG SER A 49 5.487 74.177 -13.376 1.00 52.25 H new ATOM 713 N ALA A 50 9.229 71.649 -15.121 1.00 4.34 N ATOM 714 CA ALA A 50 10.533 71.007 -15.058 1.00 71.23 C ATOM 715 C ALA A 50 10.835 70.296 -16.371 1.00 52.43 C ATOM 716 O ALA A 50 11.921 70.438 -16.932 1.00 63.35 O ATOM 717 CB ALA A 50 10.591 70.031 -13.891 1.00 52.42 C ATOM 0 H ALA A 50 8.478 71.124 -14.674 1.00 4.34 H new ATOM 0 HA ALA A 50 11.292 71.773 -14.899 1.00 71.23 H new ATOM 0 HB1 ALA A 50 11.573 69.560 -13.859 1.00 52.42 H new ATOM 0 HB2 ALA A 50 10.415 70.568 -12.959 1.00 52.42 H new ATOM 0 HB3 ALA A 50 9.826 69.265 -14.019 1.00 52.42 H new ATOM 723 N LEU A 51 9.856 69.549 -16.871 1.00 14.24 N ATOM 724 CA LEU A 51 10.016 68.829 -18.131 1.00 65.24 C ATOM 725 C LEU A 51 9.945 69.788 -19.315 1.00 54.11 C ATOM 726 O LEU A 51 10.301 69.430 -20.438 1.00 73.42 O ATOM 727 CB LEU A 51 8.955 67.730 -18.296 1.00 34.13 C ATOM 728 CG LEU A 51 7.516 68.217 -18.516 1.00 14.14 C ATOM 729 CD1 LEU A 51 6.734 67.206 -19.342 1.00 42.24 C ATOM 730 CD2 LEU A 51 6.817 68.449 -17.187 1.00 32.32 C ATOM 0 H LEU A 51 8.947 69.426 -16.426 1.00 14.24 H new ATOM 0 HA LEU A 51 10.998 68.357 -18.107 1.00 65.24 H new ATOM 0 HB2 LEU A 51 9.239 67.101 -19.140 1.00 34.13 H new ATOM 0 HB3 LEU A 51 8.973 67.098 -17.408 1.00 34.13 H new ATOM 0 HG LEU A 51 7.558 69.162 -19.058 1.00 14.14 H new ATOM 0 HD11 LEU A 51 5.716 67.566 -19.489 1.00 42.24 H new ATOM 0 HD12 LEU A 51 7.217 67.077 -20.311 1.00 42.24 H new ATOM 0 HD13 LEU A 51 6.709 66.250 -18.819 1.00 42.24 H new ATOM 0 HD21 LEU A 51 5.799 68.794 -17.367 1.00 32.32 H new ATOM 0 HD22 LEU A 51 6.790 67.517 -16.622 1.00 32.32 H new ATOM 0 HD23 LEU A 51 7.360 69.203 -16.617 1.00 32.32 H new ATOM 742 N ASP A 52 9.489 71.007 -19.054 1.00 2.23 N ATOM 743 CA ASP A 52 9.359 72.017 -20.097 1.00 12.25 C ATOM 744 C ASP A 52 10.722 72.352 -20.686 1.00 34.31 C ATOM 745 O ASP A 52 10.895 72.359 -21.902 1.00 33.15 O ATOM 746 CB ASP A 52 8.700 73.278 -19.539 1.00 5.20 C ATOM 747 CG ASP A 52 8.596 74.385 -20.574 1.00 62.52 C ATOM 748 OD1 ASP A 52 8.016 74.143 -21.653 1.00 12.41 O ATOM 749 OD2 ASP A 52 9.075 75.505 -20.306 1.00 63.02 O1- ATOM 0 H ASP A 52 9.202 71.321 -18.127 1.00 2.23 H new ATOM 0 HA ASP A 52 8.727 71.615 -20.889 1.00 12.25 H new ATOM 0 HB2 ASP A 52 7.703 73.032 -19.173 1.00 5.20 H new ATOM 0 HB3 ASP A 52 9.274 73.636 -18.684 1.00 5.20 H new ATOM 754 N ASN A 53 11.700 72.580 -19.819 1.00 61.25 N ATOM 755 CA ASN A 53 13.061 72.883 -20.258 1.00 42.12 C ATOM 756 C ASN A 53 13.797 71.610 -20.664 1.00 63.01 C ATOM 757 O ASN A 53 15.006 71.625 -20.886 1.00 23.25 O ATOM 758 CB ASN A 53 13.840 73.598 -19.151 1.00 44.53 C ATOM 759 CG ASN A 53 13.303 74.985 -18.855 1.00 73.01 C ATOM 760 OD1 ASN A 53 12.421 75.155 -18.012 1.00 72.42 O ATOM 761 ND2 ASN A 53 13.830 75.984 -19.547 1.00 31.23 N ATOM 0 H ASN A 53 11.579 72.561 -18.806 1.00 61.25 H new ATOM 0 HA ASN A 53 12.992 73.541 -21.125 1.00 42.12 H new ATOM 0 HB2 ASN A 53 13.804 72.998 -18.242 1.00 44.53 H new ATOM 0 HB3 ASN A 53 14.888 73.674 -19.441 1.00 44.53 H new ATOM 0 HD21 ASN A 53 13.507 76.939 -19.391 1.00 31.23 H new ATOM 0 HD22 ASN A 53 14.559 75.798 -20.236 1.00 31.23 H new ATOM 768 N PHE A 54 13.069 70.511 -20.756 1.00 22.14 N ATOM 769 CA PHE A 54 13.658 69.242 -21.138 1.00 43.23 C ATOM 770 C PHE A 54 13.195 68.839 -22.533 1.00 0.30 C ATOM 771 O PHE A 54 13.988 68.800 -23.472 1.00 51.31 O ATOM 772 CB PHE A 54 13.288 68.159 -20.118 1.00 64.13 C ATOM 773 CG PHE A 54 13.870 66.805 -20.417 1.00 32.43 C ATOM 774 CD1 PHE A 54 15.228 66.568 -20.255 1.00 20.25 C ATOM 775 CD2 PHE A 54 13.060 65.771 -20.850 1.00 52.44 C ATOM 776 CE1 PHE A 54 15.763 65.324 -20.524 1.00 74.25 C ATOM 777 CE2 PHE A 54 13.590 64.525 -21.122 1.00 41.13 C ATOM 778 CZ PHE A 54 14.942 64.300 -20.958 1.00 1.54 C ATOM 0 H PHE A 54 12.067 70.473 -20.571 1.00 22.14 H new ATOM 0 HA PHE A 54 14.742 69.351 -21.153 1.00 43.23 H new ATOM 0 HB2 PHE A 54 13.623 68.476 -19.131 1.00 64.13 H new ATOM 0 HB3 PHE A 54 12.202 68.073 -20.074 1.00 64.13 H new ATOM 0 HD1 PHE A 54 15.873 67.365 -19.915 1.00 20.25 H new ATOM 0 HD2 PHE A 54 12.001 65.940 -20.977 1.00 52.44 H new ATOM 0 HE1 PHE A 54 16.821 65.151 -20.396 1.00 74.25 H new ATOM 0 HE2 PHE A 54 12.947 63.727 -21.463 1.00 41.13 H new ATOM 0 HZ PHE A 54 15.358 63.326 -21.168 1.00 1.54 H new ATOM 788 N THR A 55 11.898 68.586 -22.677 1.00 75.41 N ATOM 789 CA THR A 55 11.356 68.071 -23.926 1.00 62.12 C ATOM 790 C THR A 55 11.313 69.144 -25.016 1.00 21.25 C ATOM 791 O THR A 55 11.232 68.824 -26.201 1.00 1.24 O ATOM 792 CB THR A 55 9.943 67.473 -23.729 1.00 4.21 C ATOM 793 OG1 THR A 55 9.494 66.851 -24.943 1.00 21.43 O ATOM 794 CG2 THR A 55 8.943 68.540 -23.308 1.00 4.31 C ATOM 0 H THR A 55 11.204 68.730 -21.943 1.00 75.41 H new ATOM 0 HA THR A 55 12.031 67.279 -24.250 1.00 62.12 H new ATOM 0 HB THR A 55 10.007 66.728 -22.936 1.00 4.21 H new ATOM 0 HG1 THR A 55 9.874 67.324 -25.713 1.00 21.43 H new ATOM 0 HG21 THR A 55 7.960 68.087 -23.178 1.00 4.31 H new ATOM 0 HG22 THR A 55 9.263 68.988 -22.367 1.00 4.31 H new ATOM 0 HG23 THR A 55 8.888 69.311 -24.077 1.00 4.31 H new ATOM 802 N GLN A 56 11.388 70.408 -24.623 1.00 32.54 N ATOM 803 CA GLN A 56 11.318 71.502 -25.584 1.00 40.22 C ATOM 804 C GLN A 56 12.626 71.625 -26.352 1.00 42.31 C ATOM 805 O GLN A 56 12.643 72.064 -27.499 1.00 33.50 O ATOM 806 CB GLN A 56 10.975 72.817 -24.887 1.00 24.31 C ATOM 807 CG GLN A 56 9.565 73.313 -25.187 1.00 3.12 C ATOM 808 CD GLN A 56 8.492 72.276 -24.904 1.00 23.51 C ATOM 809 OE1 GLN A 56 8.131 71.482 -25.778 1.00 22.43 O ATOM 810 NE2 GLN A 56 7.961 72.280 -23.692 1.00 51.20 N ATOM 0 H GLN A 56 11.497 70.701 -23.652 1.00 32.54 H new ATOM 0 HA GLN A 56 10.523 71.279 -26.295 1.00 40.22 H new ATOM 0 HB2 GLN A 56 11.085 72.688 -23.810 1.00 24.31 H new ATOM 0 HB3 GLN A 56 11.692 73.579 -25.192 1.00 24.31 H new ATOM 0 HG2 GLN A 56 9.366 74.204 -24.591 1.00 3.12 H new ATOM 0 HG3 GLN A 56 9.507 73.610 -26.234 1.00 3.12 H new ATOM 0 HE21 GLN A 56 8.285 72.951 -22.996 1.00 51.20 H new ATOM 0 HE22 GLN A 56 7.228 71.612 -23.454 1.00 51.20 H new ATOM 819 N ALA A 57 13.719 71.218 -25.723 1.00 43.12 N ATOM 820 CA ALA A 57 15.011 71.189 -26.393 1.00 74.22 C ATOM 821 C ALA A 57 15.109 69.947 -27.270 1.00 13.44 C ATOM 822 O ALA A 57 15.925 69.870 -28.188 1.00 44.41 O ATOM 823 CB ALA A 57 16.137 71.220 -25.374 1.00 32.32 C ATOM 0 H ALA A 57 13.737 70.904 -24.753 1.00 43.12 H new ATOM 0 HA ALA A 57 15.104 72.072 -27.026 1.00 74.22 H new ATOM 0 HB1 ALA A 57 17.096 71.198 -25.891 1.00 32.32 H new ATOM 0 HB2 ALA A 57 16.066 72.131 -24.781 1.00 32.32 H new ATOM 0 HB3 ALA A 57 16.058 70.353 -24.718 1.00 32.32 H new ATOM 829 N ILE A 58 14.251 68.977 -26.980 1.00 52.41 N ATOM 830 CA ILE A 58 14.213 67.736 -27.732 1.00 43.42 C ATOM 831 C ILE A 58 13.463 67.927 -29.044 1.00 42.32 C ATOM 832 O ILE A 58 13.755 67.268 -30.036 1.00 2.22 O ATOM 833 CB ILE A 58 13.541 66.609 -26.917 1.00 4.31 C ATOM 834 CG1 ILE A 58 14.254 66.439 -25.574 1.00 33.32 C ATOM 835 CG2 ILE A 58 13.531 65.301 -27.698 1.00 22.11 C ATOM 836 CD1 ILE A 58 13.776 65.244 -24.781 1.00 75.03 C ATOM 0 H ILE A 58 13.569 69.030 -26.223 1.00 52.41 H new ATOM 0 HA ILE A 58 15.243 67.449 -27.943 1.00 43.42 H new ATOM 0 HB ILE A 58 12.504 66.887 -26.729 1.00 4.31 H new ATOM 0 HG12 ILE A 58 15.325 66.342 -25.751 1.00 33.32 H new ATOM 0 HG13 ILE A 58 14.109 67.341 -24.979 1.00 33.32 H new ATOM 0 HG21 ILE A 58 13.052 64.525 -27.101 1.00 22.11 H new ATOM 0 HG22 ILE A 58 12.978 65.437 -28.628 1.00 22.11 H new ATOM 0 HG23 ILE A 58 14.555 65.005 -27.925 1.00 22.11 H new ATOM 0 HD11 ILE A 58 14.326 65.187 -23.842 1.00 75.03 H new ATOM 0 HD12 ILE A 58 12.711 65.348 -24.573 1.00 75.03 H new ATOM 0 HD13 ILE A 58 13.946 64.334 -25.356 1.00 75.03 H new ATOM 848 N GLN A 59 12.516 68.857 -29.046 1.00 20.32 N ATOM 849 CA GLN A 59 11.695 69.131 -30.225 1.00 43.14 C ATOM 850 C GLN A 59 12.566 69.405 -31.452 1.00 30.01 C ATOM 851 O GLN A 59 12.245 68.978 -32.563 1.00 22.32 O ATOM 852 CB GLN A 59 10.781 70.331 -29.959 1.00 0.24 C ATOM 853 CG GLN A 59 9.951 70.206 -28.687 1.00 33.03 C ATOM 854 CD GLN A 59 8.843 69.170 -28.781 1.00 32.54 C ATOM 855 OE1 GLN A 59 8.946 68.186 -29.510 1.00 24.13 O ATOM 856 NE2 GLN A 59 7.776 69.380 -28.023 1.00 51.23 N ATOM 0 H GLN A 59 12.294 69.440 -28.239 1.00 20.32 H new ATOM 0 HA GLN A 59 11.087 68.249 -30.427 1.00 43.14 H new ATOM 0 HB2 GLN A 59 11.391 71.232 -29.896 1.00 0.24 H new ATOM 0 HB3 GLN A 59 10.110 70.459 -30.808 1.00 0.24 H new ATOM 0 HG2 GLN A 59 10.609 69.947 -27.858 1.00 33.03 H new ATOM 0 HG3 GLN A 59 9.511 71.176 -28.454 1.00 33.03 H new ATOM 0 HE21 GLN A 59 7.726 70.209 -27.430 1.00 51.23 H new ATOM 0 HE22 GLN A 59 7.005 68.713 -28.032 1.00 51.23 H new ATOM 865 N SER A 60 13.681 70.096 -31.234 1.00 51.04 N ATOM 866 CA SER A 60 14.615 70.422 -32.304 1.00 11.41 C ATOM 867 C SER A 60 15.210 69.153 -32.919 1.00 54.31 C ATOM 868 O SER A 60 15.247 68.999 -34.143 1.00 71.15 O ATOM 869 CB SER A 60 15.726 71.324 -31.765 1.00 73.34 C ATOM 870 OG SER A 60 15.183 72.445 -31.082 1.00 3.51 O ATOM 0 H SER A 60 13.960 70.443 -30.317 1.00 51.04 H new ATOM 0 HA SER A 60 14.073 70.951 -33.087 1.00 11.41 H new ATOM 0 HB2 SER A 60 16.365 70.756 -31.089 1.00 73.34 H new ATOM 0 HB3 SER A 60 16.355 71.664 -32.588 1.00 73.34 H new ATOM 0 HG SER A 60 15.912 73.007 -30.744 1.00 3.51 H new ATOM 876 N GLN A 61 15.649 68.227 -32.070 1.00 30.10 N ATOM 877 CA GLN A 61 16.261 66.996 -32.557 1.00 24.42 C ATOM 878 C GLN A 61 15.200 66.011 -33.047 1.00 14.32 C ATOM 879 O GLN A 61 15.509 65.066 -33.766 1.00 1.12 O ATOM 880 CB GLN A 61 17.159 66.352 -31.491 1.00 64.21 C ATOM 881 CG GLN A 61 16.470 66.080 -30.166 1.00 32.32 C ATOM 882 CD GLN A 61 17.389 65.414 -29.162 1.00 64.01 C ATOM 883 OE1 GLN A 61 17.453 64.188 -29.082 1.00 52.54 O ATOM 884 NE2 GLN A 61 18.121 66.212 -28.400 1.00 61.52 N ATOM 0 H GLN A 61 15.593 68.304 -31.054 1.00 30.10 H new ATOM 0 HA GLN A 61 16.894 67.259 -33.404 1.00 24.42 H new ATOM 0 HB2 GLN A 61 17.549 65.412 -31.882 1.00 64.21 H new ATOM 0 HB3 GLN A 61 18.015 67.003 -31.314 1.00 64.21 H new ATOM 0 HG2 GLN A 61 16.103 67.019 -29.751 1.00 32.32 H new ATOM 0 HG3 GLN A 61 15.601 65.445 -30.336 1.00 32.32 H new ATOM 0 HE21 GLN A 61 18.040 67.224 -28.496 1.00 61.52 H new ATOM 0 HE22 GLN A 61 18.766 65.814 -27.717 1.00 61.52 H new ATOM 893 N ILE A 62 13.949 66.247 -32.667 1.00 25.21 N ATOM 894 CA ILE A 62 12.834 65.469 -33.193 1.00 60.23 C ATOM 895 C ILE A 62 12.601 65.845 -34.651 1.00 4.22 C ATOM 896 O ILE A 62 12.402 64.981 -35.505 1.00 73.53 O ATOM 897 CB ILE A 62 11.534 65.690 -32.381 1.00 31.41 C ATOM 898 CG1 ILE A 62 11.703 65.164 -30.954 1.00 75.12 C ATOM 899 CG2 ILE A 62 10.350 65.011 -33.060 1.00 11.33 C ATOM 900 CD1 ILE A 62 10.475 65.346 -30.083 1.00 54.33 C ATOM 0 H ILE A 62 13.682 66.969 -31.998 1.00 25.21 H new ATOM 0 HA ILE A 62 13.094 64.414 -33.111 1.00 60.23 H new ATOM 0 HB ILE A 62 11.335 66.761 -32.338 1.00 31.41 H new ATOM 0 HG12 ILE A 62 11.953 64.104 -30.995 1.00 75.12 H new ATOM 0 HG13 ILE A 62 12.546 65.673 -30.487 1.00 75.12 H new ATOM 0 HG21 ILE A 62 9.448 65.179 -32.472 1.00 11.33 H new ATOM 0 HG22 ILE A 62 10.215 65.427 -34.058 1.00 11.33 H new ATOM 0 HG23 ILE A 62 10.539 63.940 -33.136 1.00 11.33 H new ATOM 0 HD11 ILE A 62 10.673 64.949 -29.087 1.00 54.33 H new ATOM 0 HD12 ILE A 62 10.235 66.407 -30.009 1.00 54.33 H new ATOM 0 HD13 ILE A 62 9.633 64.813 -30.525 1.00 54.33 H new ATOM 912 N LEU A 63 12.654 67.143 -34.932 1.00 64.35 N ATOM 913 CA LEU A 63 12.535 67.635 -36.299 1.00 53.53 C ATOM 914 C LEU A 63 13.674 67.088 -37.154 1.00 34.31 C ATOM 915 O LEU A 63 13.469 66.685 -38.301 1.00 74.53 O ATOM 916 CB LEU A 63 12.550 69.165 -36.322 1.00 24.15 C ATOM 917 CG LEU A 63 11.395 69.841 -35.587 1.00 14.34 C ATOM 918 CD1 LEU A 63 11.545 71.351 -35.644 1.00 52.54 C ATOM 919 CD2 LEU A 63 10.061 69.420 -36.181 1.00 61.01 C ATOM 0 H LEU A 63 12.779 67.873 -34.231 1.00 64.35 H new ATOM 0 HA LEU A 63 11.586 67.291 -36.709 1.00 53.53 H new ATOM 0 HB2 LEU A 63 13.488 69.509 -35.885 1.00 24.15 H new ATOM 0 HB3 LEU A 63 12.541 69.496 -37.360 1.00 24.15 H new ATOM 0 HG LEU A 63 11.421 69.526 -34.544 1.00 14.34 H new ATOM 0 HD11 LEU A 63 10.714 71.819 -35.116 1.00 52.54 H new ATOM 0 HD12 LEU A 63 12.484 71.641 -35.173 1.00 52.54 H new ATOM 0 HD13 LEU A 63 11.544 71.678 -36.684 1.00 52.54 H new ATOM 0 HD21 LEU A 63 9.251 69.913 -35.643 1.00 61.01 H new ATOM 0 HD22 LEU A 63 10.025 69.705 -37.232 1.00 61.01 H new ATOM 0 HD23 LEU A 63 9.949 68.339 -36.094 1.00 61.01 H new ATOM 931 N GLY A 64 14.876 67.071 -36.580 1.00 54.14 N ATOM 932 CA GLY A 64 16.013 66.475 -37.256 1.00 43.53 C ATOM 933 C GLY A 64 15.835 64.981 -37.442 1.00 42.50 C ATOM 934 O GLY A 64 16.223 64.423 -38.469 1.00 45.41 O ATOM 0 H GLY A 64 15.081 67.460 -35.659 1.00 54.14 H new ATOM 0 HA2 GLY A 64 16.148 66.949 -38.228 1.00 43.53 H new ATOM 0 HA3 GLY A 64 16.919 66.665 -36.680 1.00 43.53 H new ATOM 938 N GLY A 65 15.241 64.335 -36.447 1.00 25.24 N ATOM 939 CA GLY A 65 14.948 62.919 -36.538 1.00 5.50 C ATOM 940 C GLY A 65 13.987 62.616 -37.666 1.00 33.53 C ATOM 941 O GLY A 65 14.127 61.603 -38.352 1.00 11.34 O ATOM 0 H GLY A 65 14.955 64.772 -35.571 1.00 25.24 H new ATOM 0 HA2 GLY A 65 15.874 62.365 -36.691 1.00 5.50 H new ATOM 0 HA3 GLY A 65 14.523 62.574 -35.595 1.00 5.50 H new ATOM 945 N LEU A 66 13.023 63.508 -37.868 1.00 53.33 N ATOM 946 CA LEU A 66 12.051 63.367 -38.945 1.00 72.23 C ATOM 947 C LEU A 66 12.746 63.263 -40.298 1.00 34.12 C ATOM 948 O LEU A 66 12.624 62.253 -40.988 1.00 33.03 O ATOM 949 CB LEU A 66 11.078 64.551 -38.948 1.00 31.31 C ATOM 950 CG LEU A 66 10.180 64.667 -37.715 1.00 64.21 C ATOM 951 CD1 LEU A 66 9.331 65.927 -37.798 1.00 22.03 C ATOM 952 CD2 LEU A 66 9.293 63.437 -37.580 1.00 65.03 C ATOM 0 H LEU A 66 12.894 64.342 -37.295 1.00 53.33 H new ATOM 0 HA LEU A 66 11.491 62.448 -38.772 1.00 72.23 H new ATOM 0 HB2 LEU A 66 11.653 65.472 -39.045 1.00 31.31 H new ATOM 0 HB3 LEU A 66 10.445 64.476 -39.832 1.00 31.31 H new ATOM 0 HG LEU A 66 10.814 64.731 -36.831 1.00 64.21 H new ATOM 0 HD11 LEU A 66 8.697 65.997 -36.914 1.00 22.03 H new ATOM 0 HD12 LEU A 66 9.981 66.801 -37.849 1.00 22.03 H new ATOM 0 HD13 LEU A 66 8.707 65.887 -38.691 1.00 22.03 H new ATOM 0 HD21 LEU A 66 8.662 63.539 -36.697 1.00 65.03 H new ATOM 0 HD22 LEU A 66 8.665 63.342 -38.466 1.00 65.03 H new ATOM 0 HD23 LEU A 66 9.916 62.548 -37.480 1.00 65.03 H new ATOM 964 N LEU A 67 13.515 64.286 -40.655 1.00 53.21 N ATOM 965 CA LEU A 67 14.163 64.331 -41.966 1.00 64.45 C ATOM 966 C LEU A 67 15.208 63.224 -42.120 1.00 60.43 C ATOM 967 O LEU A 67 15.708 62.977 -43.215 1.00 44.24 O ATOM 968 CB LEU A 67 14.776 65.720 -42.215 1.00 51.43 C ATOM 969 CG LEU A 67 15.766 66.231 -41.157 1.00 3.00 C ATOM 970 CD1 LEU A 67 17.161 65.669 -41.393 1.00 70.32 C ATOM 971 CD2 LEU A 67 15.797 67.752 -41.154 1.00 22.21 C ATOM 0 H LEU A 67 13.706 65.092 -40.060 1.00 53.21 H new ATOM 0 HA LEU A 67 13.400 64.153 -42.723 1.00 64.45 H new ATOM 0 HB2 LEU A 67 15.286 65.700 -43.178 1.00 51.43 H new ATOM 0 HB3 LEU A 67 13.963 66.442 -42.299 1.00 51.43 H new ATOM 0 HG LEU A 67 15.427 65.885 -40.181 1.00 3.00 H new ATOM 0 HD11 LEU A 67 17.840 66.048 -40.629 1.00 70.32 H new ATOM 0 HD12 LEU A 67 17.128 64.581 -41.342 1.00 70.32 H new ATOM 0 HD13 LEU A 67 17.515 65.975 -42.377 1.00 70.32 H new ATOM 0 HD21 LEU A 67 16.503 68.100 -40.400 1.00 22.21 H new ATOM 0 HD22 LEU A 67 16.108 68.112 -42.135 1.00 22.21 H new ATOM 0 HD23 LEU A 67 14.803 68.136 -40.925 1.00 22.21 H new ATOM 983 N SER A 68 15.525 62.551 -41.025 1.00 40.32 N ATOM 984 CA SER A 68 16.480 61.462 -41.064 1.00 11.31 C ATOM 985 C SER A 68 15.775 60.111 -41.193 1.00 75.02 C ATOM 986 O SER A 68 16.157 59.279 -42.018 1.00 75.11 O ATOM 987 CB SER A 68 17.347 61.483 -39.807 1.00 0.14 C ATOM 988 OG SER A 68 17.993 62.735 -39.652 1.00 4.11 O ATOM 0 H SER A 68 15.135 62.741 -40.102 1.00 40.32 H new ATOM 0 HA SER A 68 17.113 61.597 -41.941 1.00 11.31 H new ATOM 0 HB2 SER A 68 16.729 61.278 -38.932 1.00 0.14 H new ATOM 0 HB3 SER A 68 18.093 60.690 -39.863 1.00 0.14 H new ATOM 0 HG SER A 68 17.347 63.399 -39.332 1.00 4.11 H new ATOM 994 N ASN A 69 14.738 59.899 -40.390 1.00 22.22 N ATOM 995 CA ASN A 69 14.094 58.591 -40.313 1.00 3.21 C ATOM 996 C ASN A 69 12.923 58.460 -41.287 1.00 33.23 C ATOM 997 O ASN A 69 12.623 57.360 -41.750 1.00 41.32 O ATOM 998 CB ASN A 69 13.616 58.324 -38.883 1.00 53.44 C ATOM 999 CG ASN A 69 12.895 56.994 -38.743 1.00 25.14 C ATOM 1000 OD1 ASN A 69 11.676 56.922 -38.871 1.00 41.35 O ATOM 1001 ND2 ASN A 69 13.643 55.934 -38.477 1.00 2.13 N ATOM 0 H ASN A 69 14.327 60.611 -39.786 1.00 22.22 H new ATOM 0 HA ASN A 69 14.839 57.848 -40.598 1.00 3.21 H new ATOM 0 HB2 ASN A 69 14.473 58.341 -38.209 1.00 53.44 H new ATOM 0 HB3 ASN A 69 12.950 59.128 -38.571 1.00 53.44 H new ATOM 0 HD21 ASN A 69 13.209 55.017 -38.371 1.00 2.13 H new ATOM 0 HD22 ASN A 69 14.653 56.035 -38.378 1.00 2.13 H new ATOM 1008 N ILE A 70 12.293 59.577 -41.639 1.00 71.41 N ATOM 1009 CA ILE A 70 11.146 59.546 -42.550 1.00 54.25 C ATOM 1010 C ILE A 70 11.585 59.102 -43.948 1.00 15.54 C ATOM 1011 O ILE A 70 10.783 58.615 -44.745 1.00 23.53 O ATOM 1012 CB ILE A 70 10.428 60.921 -42.615 1.00 3.10 C ATOM 1013 CG1 ILE A 70 9.798 61.253 -41.256 1.00 23.53 C ATOM 1014 CG2 ILE A 70 9.365 60.949 -43.709 1.00 12.32 C ATOM 1015 CD1 ILE A 70 8.783 60.231 -40.782 1.00 42.43 C ATOM 0 H ILE A 70 12.552 60.508 -41.313 1.00 71.41 H new ATOM 0 HA ILE A 70 10.432 58.821 -42.158 1.00 54.25 H new ATOM 0 HB ILE A 70 11.176 61.676 -42.859 1.00 3.10 H new ATOM 0 HG12 ILE A 70 10.589 61.337 -40.511 1.00 23.53 H new ATOM 0 HG13 ILE A 70 9.315 62.228 -41.319 1.00 23.53 H new ATOM 0 HG21 ILE A 70 8.884 61.927 -43.724 1.00 12.32 H new ATOM 0 HG22 ILE A 70 9.832 60.759 -44.675 1.00 12.32 H new ATOM 0 HG23 ILE A 70 8.618 60.180 -43.510 1.00 12.32 H new ATOM 0 HD11 ILE A 70 8.383 60.537 -39.815 1.00 42.43 H new ATOM 0 HD12 ILE A 70 7.970 60.163 -41.505 1.00 42.43 H new ATOM 0 HD13 ILE A 70 9.265 59.258 -40.684 1.00 42.43 H new ATOM 1027 N ASN A 71 12.876 59.243 -44.231 1.00 10.14 N ATOM 1028 CA ASN A 71 13.436 58.776 -45.497 1.00 44.34 C ATOM 1029 C ASN A 71 13.411 57.252 -45.556 1.00 55.34 C ATOM 1030 O ASN A 71 13.305 56.659 -46.629 1.00 20.43 O ATOM 1031 CB ASN A 71 14.874 59.276 -45.684 1.00 33.10 C ATOM 1032 CG ASN A 71 14.970 60.752 -46.030 1.00 24.15 C ATOM 1033 OD1 ASN A 71 15.902 61.174 -46.711 1.00 2.11 O ATOM 1034 ND2 ASN A 71 14.014 61.546 -45.577 1.00 61.43 N ATOM 0 H ASN A 71 13.554 59.676 -43.603 1.00 10.14 H new ATOM 0 HA ASN A 71 12.822 59.179 -46.303 1.00 44.34 H new ATOM 0 HB2 ASN A 71 15.435 59.090 -44.768 1.00 33.10 H new ATOM 0 HB3 ASN A 71 15.351 58.696 -46.474 1.00 33.10 H new ATOM 0 HD21 ASN A 71 14.035 62.543 -45.790 1.00 61.43 H new ATOM 0 HD22 ASN A 71 13.255 61.161 -45.014 1.00 61.43 H new ATOM 1041 N THR A 72 13.491 56.621 -44.391 1.00 12.11 N ATOM 1042 CA THR A 72 13.486 55.171 -44.304 1.00 23.30 C ATOM 1043 C THR A 72 12.079 54.654 -43.997 1.00 44.31 C ATOM 1044 O THR A 72 11.570 53.760 -44.680 1.00 44.23 O ATOM 1045 CB THR A 72 14.460 54.689 -43.212 1.00 2.13 C ATOM 1046 OG1 THR A 72 15.713 55.374 -43.342 1.00 14.23 O ATOM 1047 CG2 THR A 72 14.693 53.189 -43.310 1.00 53.31 C ATOM 0 H THR A 72 13.560 57.096 -43.491 1.00 12.11 H new ATOM 0 HA THR A 72 13.808 54.777 -45.268 1.00 23.30 H new ATOM 0 HB THR A 72 14.016 54.909 -42.241 1.00 2.13 H new ATOM 0 HG1 THR A 72 15.673 55.986 -44.106 1.00 14.23 H new ATOM 0 HG21 THR A 72 15.384 52.876 -42.527 1.00 53.31 H new ATOM 0 HG22 THR A 72 13.745 52.665 -43.188 1.00 53.31 H new ATOM 0 HG23 THR A 72 15.117 52.950 -44.285 1.00 53.31 H new ATOM 1055 N GLY A 73 11.449 55.240 -42.983 1.00 3.13 N ATOM 1056 CA GLY A 73 10.124 54.816 -42.576 1.00 42.41 C ATOM 1057 C GLY A 73 10.181 53.646 -41.619 1.00 24.53 C ATOM 1058 O GLY A 73 10.208 53.826 -40.399 1.00 71.02 O ATOM 0 H GLY A 73 11.837 56.006 -42.433 1.00 3.13 H new ATOM 0 HA2 GLY A 73 9.605 55.649 -42.102 1.00 42.41 H new ATOM 0 HA3 GLY A 73 9.544 54.538 -43.456 1.00 42.41 H new ATOM 1062 N LYS A 74 10.167 52.445 -42.181 1.00 31.51 N ATOM 1063 CA LYS A 74 10.338 51.222 -41.407 1.00 51.44 C ATOM 1064 C LYS A 74 11.669 51.256 -40.652 1.00 44.43 C ATOM 1065 O LYS A 74 12.607 51.936 -41.076 1.00 24.01 O ATOM 1066 CB LYS A 74 10.288 50.000 -42.331 1.00 23.21 C ATOM 1067 CG LYS A 74 11.418 49.955 -43.347 1.00 4.23 C ATOM 1068 CD LYS A 74 11.326 48.731 -44.241 1.00 20.20 C ATOM 1069 CE LYS A 74 12.516 48.647 -45.181 1.00 35.24 C ATOM 1070 NZ LYS A 74 12.413 47.495 -46.113 1.00 22.45 N1+ ATOM 0 H LYS A 74 10.038 52.291 -43.181 1.00 31.51 H new ATOM 0 HA LYS A 74 9.526 51.150 -40.684 1.00 51.44 H new ATOM 0 HB2 LYS A 74 10.321 49.095 -41.724 1.00 23.21 H new ATOM 0 HB3 LYS A 74 9.335 49.995 -42.860 1.00 23.21 H new ATOM 0 HG2 LYS A 74 11.391 50.856 -43.960 1.00 4.23 H new ATOM 0 HG3 LYS A 74 12.375 49.953 -42.826 1.00 4.23 H new ATOM 0 HD2 LYS A 74 11.280 47.832 -43.627 1.00 20.20 H new ATOM 0 HD3 LYS A 74 10.403 48.769 -44.820 1.00 20.20 H new ATOM 0 HE2 LYS A 74 12.590 49.571 -45.755 1.00 35.24 H new ATOM 0 HE3 LYS A 74 13.433 48.560 -44.598 1.00 35.24 H new ATOM 0 HZ1 LYS A 74 13.246 47.477 -46.736 1.00 22.45 H new ATOM 0 HZ2 LYS A 74 12.369 46.610 -45.568 1.00 22.45 H new ATOM 0 HZ3 LYS A 74 11.552 47.590 -46.689 1.00 22.45 H new ATOM 1084 N PRO A 75 11.772 50.535 -39.522 1.00 62.34 N ATOM 1085 CA PRO A 75 13.022 50.451 -38.761 1.00 2.31 C ATOM 1086 C PRO A 75 14.183 49.965 -39.628 1.00 25.45 C ATOM 1087 O PRO A 75 14.118 48.890 -40.227 1.00 34.43 O ATOM 1088 CB PRO A 75 12.707 49.431 -37.661 1.00 60.25 C ATOM 1089 CG PRO A 75 11.223 49.462 -37.521 1.00 23.21 C ATOM 1090 CD PRO A 75 10.687 49.758 -38.894 1.00 65.03 C ATOM 0 HA PRO A 75 13.335 51.421 -38.375 1.00 2.31 H new ATOM 0 HB2 PRO A 75 13.057 48.435 -37.934 1.00 60.25 H new ATOM 0 HB3 PRO A 75 13.198 49.696 -36.724 1.00 60.25 H new ATOM 0 HG2 PRO A 75 10.845 48.509 -37.151 1.00 23.21 H new ATOM 0 HG3 PRO A 75 10.914 50.226 -36.808 1.00 23.21 H new ATOM 0 HD2 PRO A 75 10.474 48.844 -39.448 1.00 65.03 H new ATOM 0 HD3 PRO A 75 9.759 50.327 -38.849 1.00 65.03 H new ATOM 1098 N GLY A 76 15.243 50.755 -39.683 1.00 12.10 N ATOM 1099 CA GLY A 76 16.367 50.423 -40.533 1.00 14.01 C ATOM 1100 C GLY A 76 17.472 49.716 -39.781 1.00 13.34 C ATOM 1101 O GLY A 76 18.574 50.243 -39.649 1.00 72.12 O ATOM 0 H GLY A 76 15.346 51.621 -39.154 1.00 12.10 H new ATOM 0 HA2 GLY A 76 16.025 49.789 -41.351 1.00 14.01 H new ATOM 0 HA3 GLY A 76 16.762 51.335 -40.980 1.00 14.01 H new ATOM 1105 N ARG A 77 17.182 48.521 -39.286 1.00 2.44 N ATOM 1106 CA ARG A 77 18.178 47.732 -38.575 1.00 13.33 C ATOM 1107 C ARG A 77 17.723 46.287 -38.428 1.00 22.11 C ATOM 1108 O ARG A 77 16.635 46.011 -37.918 1.00 0.25 O ATOM 1109 CB ARG A 77 18.465 48.341 -37.198 1.00 21.41 C ATOM 1110 CG ARG A 77 19.527 47.593 -36.407 1.00 30.43 C ATOM 1111 CD ARG A 77 19.901 48.331 -35.131 1.00 20.32 C ATOM 1112 NE ARG A 77 20.592 49.591 -35.407 1.00 45.02 N ATOM 1113 CZ ARG A 77 21.241 50.306 -34.490 1.00 1.11 C ATOM 1114 NH1 ARG A 77 21.251 49.922 -33.220 1.00 21.40 N1+ ATOM 1115 NH2 ARG A 77 21.867 51.419 -34.847 1.00 14.15 N ATOM 0 H ARG A 77 16.267 48.077 -39.363 1.00 2.44 H new ATOM 0 HA ARG A 77 19.097 47.744 -39.160 1.00 13.33 H new ATOM 0 HB2 ARG A 77 18.783 49.376 -37.327 1.00 21.41 H new ATOM 0 HB3 ARG A 77 17.541 48.361 -36.620 1.00 21.41 H new ATOM 0 HG2 ARG A 77 19.161 46.597 -36.158 1.00 30.43 H new ATOM 0 HG3 ARG A 77 20.415 47.461 -37.025 1.00 30.43 H new ATOM 0 HD2 ARG A 77 19.000 48.531 -34.551 1.00 20.32 H new ATOM 0 HD3 ARG A 77 20.539 47.694 -34.518 1.00 20.32 H new ATOM 0 HE ARG A 77 20.575 49.944 -36.364 1.00 45.02 H new ATOM 0 HH11 ARG A 77 20.759 49.073 -32.940 1.00 21.40 H new ATOM 0 HH12 ARG A 77 21.751 50.475 -32.524 1.00 21.40 H new ATOM 0 HH21 ARG A 77 21.850 51.724 -35.820 1.00 14.15 H new ATOM 0 HH22 ARG A 77 22.366 51.970 -34.148 1.00 14.15 H new ATOM 1129 N MET A 78 18.558 45.369 -38.885 1.00 12.00 N ATOM 1130 CA MET A 78 18.263 43.952 -38.790 1.00 2.03 C ATOM 1131 C MET A 78 19.234 43.291 -37.822 1.00 70.13 C ATOM 1132 O MET A 78 20.424 43.147 -38.120 1.00 44.34 O ATOM 1133 CB MET A 78 18.347 43.296 -40.168 1.00 63.14 C ATOM 1134 CG MET A 78 17.922 41.834 -40.169 1.00 52.15 C ATOM 1135 SD MET A 78 17.924 41.111 -41.822 1.00 73.31 S ATOM 1136 CE MET A 78 19.667 41.196 -42.223 1.00 35.54 C ATOM 0 H MET A 78 19.451 45.583 -39.328 1.00 12.00 H new ATOM 0 HA MET A 78 17.248 43.823 -38.415 1.00 2.03 H new ATOM 0 HB2 MET A 78 17.718 43.850 -40.865 1.00 63.14 H new ATOM 0 HB3 MET A 78 19.371 43.369 -40.535 1.00 63.14 H new ATOM 0 HG2 MET A 78 18.593 41.264 -39.527 1.00 52.15 H new ATOM 0 HG3 MET A 78 16.923 41.750 -39.741 1.00 52.15 H new ATOM 0 HE1 MET A 78 19.881 40.531 -43.060 1.00 35.54 H new ATOM 0 HE2 MET A 78 19.928 42.218 -42.496 1.00 35.54 H new ATOM 0 HE3 MET A 78 20.255 40.891 -41.357 1.00 35.54 H new ATOM 1146 N VAL A 79 18.730 42.916 -36.657 1.00 63.22 N ATOM 1147 CA VAL A 79 19.567 42.339 -35.617 1.00 53.31 C ATOM 1148 C VAL A 79 19.954 40.902 -35.959 1.00 34.33 C ATOM 1149 O VAL A 79 19.149 39.978 -35.839 1.00 23.05 O ATOM 1150 CB VAL A 79 18.867 42.384 -34.241 1.00 51.15 C ATOM 1151 CG1 VAL A 79 19.754 41.781 -33.159 1.00 62.34 C ATOM 1152 CG2 VAL A 79 18.489 43.812 -33.883 1.00 20.14 C ATOM 0 H VAL A 79 17.745 43.001 -36.408 1.00 63.22 H new ATOM 0 HA VAL A 79 20.474 42.941 -35.561 1.00 53.31 H new ATOM 0 HB VAL A 79 17.956 41.788 -34.304 1.00 51.15 H new ATOM 0 HG11 VAL A 79 19.238 41.825 -32.200 1.00 62.34 H new ATOM 0 HG12 VAL A 79 19.974 40.742 -33.406 1.00 62.34 H new ATOM 0 HG13 VAL A 79 20.685 42.344 -33.096 1.00 62.34 H new ATOM 0 HG21 VAL A 79 17.997 43.825 -32.911 1.00 20.14 H new ATOM 0 HG22 VAL A 79 19.388 44.427 -33.843 1.00 20.14 H new ATOM 0 HG23 VAL A 79 17.811 44.209 -34.638 1.00 20.14 H new ATOM 1162 N THR A 80 21.187 40.739 -36.411 1.00 24.24 N ATOM 1163 CA THR A 80 21.722 39.432 -36.749 1.00 43.31 C ATOM 1164 C THR A 80 22.960 39.158 -35.897 1.00 22.22 C ATOM 1165 O THR A 80 23.743 40.070 -35.628 1.00 20.53 O ATOM 1166 CB THR A 80 22.072 39.365 -38.250 1.00 4.42 C ATOM 1167 OG1 THR A 80 20.966 39.854 -39.019 1.00 23.43 O ATOM 1168 CG2 THR A 80 22.398 37.943 -38.677 1.00 23.11 C ATOM 0 H THR A 80 21.843 41.507 -36.553 1.00 24.24 H new ATOM 0 HA THR A 80 20.970 38.670 -36.544 1.00 43.31 H new ATOM 0 HB THR A 80 22.952 39.983 -38.425 1.00 4.42 H new ATOM 0 HG1 THR A 80 20.854 39.300 -39.819 1.00 23.43 H new ATOM 0 HG21 THR A 80 22.640 37.929 -39.740 1.00 23.11 H new ATOM 0 HG22 THR A 80 23.251 37.578 -38.105 1.00 23.11 H new ATOM 0 HG23 THR A 80 21.536 37.301 -38.493 1.00 23.11 H new ATOM 1176 N ASN A 81 23.125 37.913 -35.466 1.00 12.13 N ATOM 1177 CA ASN A 81 24.200 37.556 -34.541 1.00 13.33 C ATOM 1178 C ASN A 81 25.558 37.630 -35.225 1.00 53.52 C ATOM 1179 O ASN A 81 26.555 38.014 -34.612 1.00 72.31 O ATOM 1180 CB ASN A 81 23.994 36.139 -33.993 1.00 31.34 C ATOM 1181 CG ASN A 81 22.664 35.952 -33.283 1.00 23.22 C ATOM 1182 OD1 ASN A 81 22.125 36.877 -32.670 1.00 55.05 O ATOM 1183 ND2 ASN A 81 22.124 34.745 -33.365 1.00 51.02 N ATOM 0 H ASN A 81 22.529 37.132 -35.741 1.00 12.13 H new ATOM 0 HA ASN A 81 24.174 38.272 -33.720 1.00 13.33 H new ATOM 0 HB2 ASN A 81 24.061 35.427 -34.815 1.00 31.34 H new ATOM 0 HB3 ASN A 81 24.803 35.904 -33.301 1.00 31.34 H new ATOM 0 HD21 ASN A 81 21.231 34.554 -32.911 1.00 51.02 H new ATOM 0 HD22 ASN A 81 22.602 34.007 -33.882 1.00 51.02 H new ATOM 1190 N ASP A 82 25.589 37.252 -36.491 1.00 32.11 N ATOM 1191 CA ASP A 82 26.837 37.199 -37.244 1.00 24.13 C ATOM 1192 C ASP A 82 27.221 38.567 -37.782 1.00 61.51 C ATOM 1193 O ASP A 82 28.393 38.934 -37.783 1.00 75.51 O ATOM 1194 CB ASP A 82 26.721 36.202 -38.394 1.00 23.52 C ATOM 1195 CG ASP A 82 26.688 34.767 -37.919 1.00 72.21 C ATOM 1196 OD1 ASP A 82 25.619 34.307 -37.456 1.00 63.25 O ATOM 1197 OD2 ASP A 82 27.727 34.082 -38.014 1.00 30.43 O1- ATOM 0 H ASP A 82 24.764 36.976 -37.023 1.00 32.11 H new ATOM 0 HA ASP A 82 27.621 36.872 -36.561 1.00 24.13 H new ATOM 0 HB2 ASP A 82 25.816 36.413 -38.963 1.00 23.52 H new ATOM 0 HB3 ASP A 82 27.563 36.337 -39.073 1.00 23.52 H new ATOM 1202 N TYR A 83 26.239 39.315 -38.254 1.00 2.10 N ATOM 1203 CA TYR A 83 26.484 40.642 -38.799 1.00 61.22 C ATOM 1204 C TYR A 83 25.384 41.597 -38.369 1.00 25.13 C ATOM 1205 O TYR A 83 24.211 41.371 -38.659 1.00 35.42 O ATOM 1206 CB TYR A 83 26.553 40.598 -40.332 1.00 22.35 C ATOM 1207 CG TYR A 83 27.860 40.062 -40.885 1.00 63.34 C ATOM 1208 CD1 TYR A 83 28.107 38.697 -40.960 1.00 54.31 C ATOM 1209 CD2 TYR A 83 28.846 40.931 -41.333 1.00 61.31 C ATOM 1210 CE1 TYR A 83 29.301 38.215 -41.465 1.00 54.50 C ATOM 1211 CE2 TYR A 83 30.042 40.458 -41.840 1.00 43.02 C ATOM 1212 CZ TYR A 83 30.266 39.099 -41.902 1.00 0.23 C ATOM 1213 OH TYR A 83 31.455 38.621 -42.413 1.00 35.22 O ATOM 0 H TYR A 83 25.261 39.026 -38.271 1.00 2.10 H new ATOM 0 HA TYR A 83 27.441 40.994 -38.414 1.00 61.22 H new ATOM 0 HB2 TYR A 83 25.735 39.980 -40.703 1.00 22.35 H new ATOM 0 HB3 TYR A 83 26.394 41.604 -40.720 1.00 22.35 H new ATOM 0 HD1 TYR A 83 27.355 38.001 -40.619 1.00 54.31 H new ATOM 0 HD2 TYR A 83 28.675 41.996 -41.284 1.00 61.31 H new ATOM 0 HE1 TYR A 83 29.477 37.151 -41.517 1.00 54.50 H new ATOM 0 HE2 TYR A 83 30.797 41.149 -42.186 1.00 43.02 H new ATOM 0 HH TYR A 83 32.024 39.374 -42.676 1.00 35.22 H new ATOM 1223 N ILE A 84 25.756 42.660 -37.677 1.00 71.04 N ATOM 1224 CA ILE A 84 24.781 43.648 -37.250 1.00 33.43 C ATOM 1225 C ILE A 84 24.531 44.626 -38.391 1.00 24.33 C ATOM 1226 O ILE A 84 25.329 45.533 -38.643 1.00 13.30 O ATOM 1227 CB ILE A 84 25.221 44.422 -35.982 1.00 35.11 C ATOM 1228 CG1 ILE A 84 25.474 43.472 -34.805 1.00 70.51 C ATOM 1229 CG2 ILE A 84 24.170 45.454 -35.599 1.00 63.41 C ATOM 1230 CD1 ILE A 84 26.815 42.763 -34.856 1.00 21.15 C ATOM 0 H ILE A 84 26.717 42.860 -37.401 1.00 71.04 H new ATOM 0 HA ILE A 84 23.866 43.115 -36.990 1.00 33.43 H new ATOM 0 HB ILE A 84 26.156 44.931 -36.214 1.00 35.11 H new ATOM 0 HG12 ILE A 84 25.410 44.038 -33.876 1.00 70.51 H new ATOM 0 HG13 ILE A 84 24.681 42.725 -34.779 1.00 70.51 H new ATOM 0 HG21 ILE A 84 24.494 45.989 -34.706 1.00 63.41 H new ATOM 0 HG22 ILE A 84 24.039 46.161 -36.418 1.00 63.41 H new ATOM 0 HG23 ILE A 84 23.224 44.952 -35.398 1.00 63.41 H new ATOM 0 HD11 ILE A 84 26.915 42.111 -33.988 1.00 21.15 H new ATOM 0 HD12 ILE A 84 26.877 42.167 -35.767 1.00 21.15 H new ATOM 0 HD13 ILE A 84 27.617 43.501 -34.849 1.00 21.15 H new ATOM 1242 N VAL A 85 23.436 44.410 -39.099 1.00 45.21 N ATOM 1243 CA VAL A 85 23.121 45.194 -40.279 1.00 41.00 C ATOM 1244 C VAL A 85 22.274 46.410 -39.920 1.00 52.13 C ATOM 1245 O VAL A 85 21.088 46.286 -39.607 1.00 43.50 O ATOM 1246 CB VAL A 85 22.370 44.341 -41.323 1.00 62.43 C ATOM 1247 CG1 VAL A 85 22.068 45.150 -42.572 1.00 1.04 C ATOM 1248 CG2 VAL A 85 23.171 43.096 -41.675 1.00 64.33 C ATOM 0 H VAL A 85 22.746 43.693 -38.874 1.00 45.21 H new ATOM 0 HA VAL A 85 24.066 45.532 -40.705 1.00 41.00 H new ATOM 0 HB VAL A 85 21.422 44.030 -40.884 1.00 62.43 H new ATOM 0 HG11 VAL A 85 21.539 44.525 -43.291 1.00 1.04 H new ATOM 0 HG12 VAL A 85 21.447 46.007 -42.309 1.00 1.04 H new ATOM 0 HG13 VAL A 85 23.001 45.500 -43.013 1.00 1.04 H new ATOM 0 HG21 VAL A 85 22.624 42.508 -42.412 1.00 64.33 H new ATOM 0 HG22 VAL A 85 24.136 43.389 -42.088 1.00 64.33 H new ATOM 0 HG23 VAL A 85 23.327 42.498 -40.777 1.00 64.33 H new ATOM 1258 N ASP A 86 22.892 47.581 -39.957 1.00 31.13 N ATOM 1259 CA ASP A 86 22.187 48.828 -39.706 1.00 20.21 C ATOM 1260 C ASP A 86 21.971 49.568 -41.018 1.00 24.31 C ATOM 1261 O ASP A 86 22.925 49.856 -41.745 1.00 74.51 O ATOM 1262 CB ASP A 86 22.971 49.702 -38.725 1.00 4.42 C ATOM 1263 CG ASP A 86 22.259 51.004 -38.414 1.00 33.31 C ATOM 1264 OD1 ASP A 86 21.269 50.982 -37.650 1.00 21.44 O ATOM 1265 OD2 ASP A 86 22.693 52.062 -38.914 1.00 45.22 O1- ATOM 0 H ASP A 86 23.885 47.693 -40.160 1.00 31.13 H new ATOM 0 HA ASP A 86 21.218 48.601 -39.260 1.00 20.21 H new ATOM 0 HB2 ASP A 86 23.133 49.149 -37.799 1.00 4.42 H new ATOM 0 HB3 ASP A 86 23.954 49.919 -39.142 1.00 4.42 H new ATOM 1270 N ILE A 87 20.721 49.859 -41.326 1.00 70.13 N ATOM 1271 CA ILE A 87 20.373 50.481 -42.591 1.00 11.31 C ATOM 1272 C ILE A 87 20.121 51.970 -42.402 1.00 5.45 C ATOM 1273 O ILE A 87 19.212 52.365 -41.672 1.00 31.44 O ATOM 1274 CB ILE A 87 19.118 49.831 -43.218 1.00 73.15 C ATOM 1275 CG1 ILE A 87 19.316 48.317 -43.350 1.00 41.53 C ATOM 1276 CG2 ILE A 87 18.824 50.455 -44.578 1.00 33.35 C ATOM 1277 CD1 ILE A 87 18.110 47.589 -43.907 1.00 31.30 C ATOM 0 H ILE A 87 19.926 49.674 -40.715 1.00 70.13 H new ATOM 0 HA ILE A 87 21.216 50.333 -43.265 1.00 11.31 H new ATOM 0 HB ILE A 87 18.264 50.012 -42.565 1.00 73.15 H new ATOM 0 HG12 ILE A 87 20.173 48.127 -43.996 1.00 41.53 H new ATOM 0 HG13 ILE A 87 19.557 47.905 -42.370 1.00 41.53 H new ATOM 0 HG21 ILE A 87 17.938 49.988 -45.009 1.00 33.35 H new ATOM 0 HG22 ILE A 87 18.649 51.524 -44.458 1.00 33.35 H new ATOM 0 HG23 ILE A 87 19.675 50.299 -45.241 1.00 33.35 H new ATOM 0 HD11 ILE A 87 18.326 46.523 -43.971 1.00 31.30 H new ATOM 0 HD12 ILE A 87 17.254 47.747 -43.251 1.00 31.30 H new ATOM 0 HD13 ILE A 87 17.880 47.973 -44.901 1.00 31.30 H new ATOM 1289 N ALA A 88 20.926 52.788 -43.057 1.00 34.53 N ATOM 1290 CA ALA A 88 20.770 54.227 -42.978 1.00 21.21 C ATOM 1291 C ALA A 88 20.327 54.789 -44.320 1.00 23.43 C ATOM 1292 O ALA A 88 21.152 55.135 -45.170 1.00 54.14 O ATOM 1293 CB ALA A 88 22.063 54.884 -42.523 1.00 40.44 C ATOM 0 H ALA A 88 21.696 52.478 -43.650 1.00 34.53 H new ATOM 0 HA ALA A 88 19.998 54.448 -42.240 1.00 21.21 H new ATOM 0 HB1 ALA A 88 21.924 55.964 -42.471 1.00 40.44 H new ATOM 0 HB2 ALA A 88 22.337 54.505 -41.538 1.00 40.44 H new ATOM 0 HB3 ALA A 88 22.857 54.655 -43.233 1.00 40.44 H new ATOM 1299 N ASN A 89 19.024 54.836 -44.533 1.00 52.24 N ATOM 1300 CA ASN A 89 18.480 55.445 -45.733 1.00 21.13 C ATOM 1301 C ASN A 89 18.106 56.885 -45.436 1.00 22.12 C ATOM 1302 O ASN A 89 16.984 57.180 -45.024 1.00 62.21 O ATOM 1303 CB ASN A 89 17.264 54.674 -46.256 1.00 44.43 C ATOM 1304 CG ASN A 89 16.709 55.250 -47.552 1.00 51.24 C ATOM 1305 OD1 ASN A 89 15.510 55.169 -47.817 1.00 34.21 O ATOM 1306 ND2 ASN A 89 17.573 55.832 -48.375 1.00 52.10 N ATOM 0 H ASN A 89 18.325 54.461 -43.892 1.00 52.24 H new ATOM 0 HA ASN A 89 19.242 55.415 -46.512 1.00 21.13 H new ATOM 0 HB2 ASN A 89 17.542 53.633 -46.417 1.00 44.43 H new ATOM 0 HB3 ASN A 89 16.482 54.681 -45.497 1.00 44.43 H new ATOM 0 HD21 ASN A 89 17.249 56.229 -49.257 1.00 52.10 H new ATOM 0 HD22 ASN A 89 18.561 55.882 -48.125 1.00 52.10 H new ATOM 1313 N ARG A 90 19.068 57.772 -45.614 1.00 34.23 N ATOM 1314 CA ARG A 90 18.884 59.183 -45.313 1.00 61.53 C ATOM 1315 C ARG A 90 19.352 60.025 -46.492 1.00 14.51 C ATOM 1316 O ARG A 90 20.320 59.663 -47.162 1.00 31.12 O ATOM 1317 CB ARG A 90 19.683 59.557 -44.060 1.00 1.00 C ATOM 1318 CG ARG A 90 19.481 60.994 -43.599 1.00 75.44 C ATOM 1319 CD ARG A 90 20.479 61.376 -42.515 1.00 14.21 C ATOM 1320 NE ARG A 90 21.852 61.419 -43.022 1.00 45.22 N ATOM 1321 CZ ARG A 90 22.919 61.685 -42.267 1.00 45.51 C ATOM 1322 NH1 ARG A 90 22.776 61.892 -40.964 1.00 34.45 N1+ ATOM 1323 NH2 ARG A 90 24.124 61.754 -42.815 1.00 21.12 N ATOM 0 H ARG A 90 19.995 57.538 -45.969 1.00 34.23 H new ATOM 0 HA ARG A 90 17.826 59.375 -45.132 1.00 61.53 H new ATOM 0 HB2 ARG A 90 19.403 58.884 -43.249 1.00 1.00 H new ATOM 0 HB3 ARG A 90 20.743 59.396 -44.257 1.00 1.00 H new ATOM 0 HG2 ARG A 90 19.589 61.669 -44.448 1.00 75.44 H new ATOM 0 HG3 ARG A 90 18.466 61.117 -43.221 1.00 75.44 H new ATOM 0 HD2 ARG A 90 20.213 62.351 -42.105 1.00 14.21 H new ATOM 0 HD3 ARG A 90 20.417 60.659 -41.697 1.00 14.21 H new ATOM 0 HE ARG A 90 22.002 61.234 -44.014 1.00 45.22 H new ATOM 0 HH11 ARG A 90 21.850 61.848 -40.539 1.00 34.45 H new ATOM 0 HH12 ARG A 90 23.592 62.095 -40.387 1.00 34.45 H new ATOM 0 HH21 ARG A 90 24.238 61.603 -43.817 1.00 21.12 H new ATOM 0 HH22 ARG A 90 24.937 61.958 -42.234 1.00 21.12 H new ATOM 1337 N ASP A 91 18.640 61.121 -46.756 1.00 14.33 N ATOM 1338 CA ASP A 91 19.035 62.091 -47.781 1.00 71.02 C ATOM 1339 C ASP A 91 18.968 61.461 -49.176 1.00 43.52 C ATOM 1340 O ASP A 91 19.627 61.903 -50.116 1.00 61.51 O ATOM 1341 CB ASP A 91 20.443 62.622 -47.473 1.00 34.34 C ATOM 1342 CG ASP A 91 20.874 63.756 -48.380 1.00 2.00 C ATOM 1343 OD1 ASP A 91 20.152 64.774 -48.455 1.00 21.24 O ATOM 1344 OD2 ASP A 91 21.957 63.651 -48.988 1.00 32.31 O1- ATOM 0 H ASP A 91 17.777 61.362 -46.269 1.00 14.33 H new ATOM 0 HA ASP A 91 18.339 62.930 -47.769 1.00 71.02 H new ATOM 0 HB2 ASP A 91 20.476 62.963 -46.438 1.00 34.34 H new ATOM 0 HB3 ASP A 91 21.158 61.804 -47.562 1.00 34.34 H new ATOM 1349 N GLY A 92 18.145 60.429 -49.299 1.00 75.32 N ATOM 1350 CA GLY A 92 17.971 59.761 -50.576 1.00 62.34 C ATOM 1351 C GLY A 92 19.075 58.765 -50.868 1.00 52.21 C ATOM 1352 O GLY A 92 19.126 58.183 -51.952 1.00 23.30 O ATOM 0 H GLY A 92 17.592 60.040 -48.535 1.00 75.32 H new ATOM 0 HA2 GLY A 92 17.010 59.246 -50.584 1.00 62.34 H new ATOM 0 HA3 GLY A 92 17.940 60.507 -51.371 1.00 62.34 H new ATOM 1356 N GLN A 93 19.961 58.566 -49.902 1.00 55.42 N ATOM 1357 CA GLN A 93 21.071 57.641 -50.065 1.00 43.03 C ATOM 1358 C GLN A 93 20.817 56.353 -49.296 1.00 53.23 C ATOM 1359 O GLN A 93 20.378 56.380 -48.142 1.00 62.41 O ATOM 1360 CB GLN A 93 22.377 58.278 -49.580 1.00 32.14 C ATOM 1361 CG GLN A 93 22.813 59.500 -50.380 1.00 62.32 C ATOM 1362 CD GLN A 93 23.651 59.164 -51.608 1.00 5.43 C ATOM 1363 OE1 GLN A 93 23.427 58.005 -52.208 1.00 25.23 O flip ATOM 1364 NE2 GLN A 93 24.506 59.950 -52.014 1.00 33.20 N flip ATOM 0 H GLN A 93 19.931 59.034 -48.996 1.00 55.42 H new ATOM 0 HA GLN A 93 21.159 57.408 -51.126 1.00 43.03 H new ATOM 0 HB2 GLN A 93 22.262 58.565 -48.535 1.00 32.14 H new ATOM 0 HB3 GLN A 93 23.169 57.530 -49.620 1.00 32.14 H new ATOM 0 HG2 GLN A 93 21.927 60.051 -50.696 1.00 62.32 H new ATOM 0 HG3 GLN A 93 23.386 60.162 -49.731 1.00 62.32 H new ATOM 0 HE21 GLN A 93 24.655 60.836 -51.530 1.00 33.20 H new ATOM 0 HE22 GLN A 93 25.065 59.716 -52.834 1.00 33.20 H new ATOM 1373 N LEU A 94 21.074 55.233 -49.947 1.00 22.14 N ATOM 1374 CA LEU A 94 20.988 53.934 -49.302 1.00 50.31 C ATOM 1375 C LEU A 94 22.352 53.557 -48.741 1.00 43.43 C ATOM 1376 O LEU A 94 23.222 53.076 -49.465 1.00 52.24 O ATOM 1377 CB LEU A 94 20.509 52.857 -50.287 1.00 41.23 C ATOM 1378 CG LEU A 94 18.992 52.769 -50.507 1.00 41.02 C ATOM 1379 CD1 LEU A 94 18.283 52.454 -49.200 1.00 1.43 C ATOM 1380 CD2 LEU A 94 18.447 54.052 -51.121 1.00 42.11 C ATOM 0 H LEU A 94 21.346 55.197 -50.929 1.00 22.14 H new ATOM 0 HA LEU A 94 20.261 53.996 -48.492 1.00 50.31 H new ATOM 0 HB2 LEU A 94 20.985 53.037 -51.251 1.00 41.23 H new ATOM 0 HB3 LEU A 94 20.861 51.888 -49.934 1.00 41.23 H new ATOM 0 HG LEU A 94 18.800 51.958 -51.210 1.00 41.02 H new ATOM 0 HD11 LEU A 94 17.209 52.395 -49.374 1.00 1.43 H new ATOM 0 HD12 LEU A 94 18.641 51.500 -48.813 1.00 1.43 H new ATOM 0 HD13 LEU A 94 18.491 53.241 -48.475 1.00 1.43 H new ATOM 0 HD21 LEU A 94 17.371 53.958 -51.264 1.00 42.11 H new ATOM 0 HD22 LEU A 94 18.653 54.890 -50.455 1.00 42.11 H new ATOM 0 HD23 LEU A 94 18.927 54.227 -52.084 1.00 42.11 H new ATOM 1392 N GLN A 95 22.554 53.823 -47.462 1.00 22.34 N ATOM 1393 CA GLN A 95 23.818 53.515 -46.820 1.00 52.10 C ATOM 1394 C GLN A 95 23.676 52.307 -45.904 1.00 55.53 C ATOM 1395 O GLN A 95 23.013 52.364 -44.866 1.00 20.22 O ATOM 1396 CB GLN A 95 24.327 54.737 -46.052 1.00 54.30 C ATOM 1397 CG GLN A 95 25.557 54.466 -45.202 1.00 4.25 C ATOM 1398 CD GLN A 95 26.203 55.732 -44.670 1.00 5.40 C ATOM 1399 OE1 GLN A 95 26.733 55.751 -43.558 1.00 14.41 O ATOM 1400 NE2 GLN A 95 26.211 56.781 -45.476 1.00 5.31 N ATOM 0 H GLN A 95 21.860 54.251 -46.849 1.00 22.34 H new ATOM 0 HA GLN A 95 24.551 53.263 -47.586 1.00 52.10 H new ATOM 0 HB2 GLN A 95 24.557 55.530 -46.763 1.00 54.30 H new ATOM 0 HB3 GLN A 95 23.529 55.108 -45.409 1.00 54.30 H new ATOM 0 HG2 GLN A 95 25.279 53.827 -44.364 1.00 4.25 H new ATOM 0 HG3 GLN A 95 26.287 53.914 -45.795 1.00 4.25 H new ATOM 0 HE21 GLN A 95 25.761 56.726 -46.390 1.00 5.31 H new ATOM 0 HE22 GLN A 95 26.667 57.645 -45.184 1.00 5.31 H new ATOM 1409 N LEU A 96 24.285 51.209 -46.314 1.00 75.11 N ATOM 1410 CA LEU A 96 24.222 49.974 -45.563 1.00 53.33 C ATOM 1411 C LEU A 96 25.427 49.863 -44.640 1.00 12.32 C ATOM 1412 O LEU A 96 26.553 49.678 -45.098 1.00 51.50 O ATOM 1413 CB LEU A 96 24.181 48.781 -46.520 1.00 11.23 C ATOM 1414 CG LEU A 96 23.936 47.424 -45.861 1.00 54.15 C ATOM 1415 CD1 LEU A 96 22.556 47.381 -45.226 1.00 12.31 C ATOM 1416 CD2 LEU A 96 24.089 46.305 -46.879 1.00 11.35 C ATOM 0 H LEU A 96 24.833 51.151 -47.172 1.00 75.11 H new ATOM 0 HA LEU A 96 23.315 49.973 -44.959 1.00 53.33 H new ATOM 0 HB2 LEU A 96 23.398 48.955 -47.258 1.00 11.23 H new ATOM 0 HB3 LEU A 96 25.126 48.738 -47.062 1.00 11.23 H new ATOM 0 HG LEU A 96 24.679 47.282 -45.077 1.00 54.15 H new ATOM 0 HD11 LEU A 96 22.399 46.407 -44.762 1.00 12.31 H new ATOM 0 HD12 LEU A 96 22.480 48.161 -44.468 1.00 12.31 H new ATOM 0 HD13 LEU A 96 21.798 47.544 -45.992 1.00 12.31 H new ATOM 0 HD21 LEU A 96 23.911 45.345 -46.394 1.00 11.35 H new ATOM 0 HD22 LEU A 96 23.367 46.444 -47.684 1.00 11.35 H new ATOM 0 HD23 LEU A 96 25.098 46.323 -47.290 1.00 11.35 H new ATOM 1428 N ASN A 97 25.194 49.993 -43.346 1.00 24.34 N ATOM 1429 CA ASN A 97 26.269 49.926 -42.369 1.00 24.31 C ATOM 1430 C ASN A 97 26.351 48.534 -41.761 1.00 43.41 C ATOM 1431 O ASN A 97 25.645 48.219 -40.801 1.00 33.42 O ATOM 1432 CB ASN A 97 26.082 50.972 -41.264 1.00 32.34 C ATOM 1433 CG ASN A 97 26.330 52.388 -41.745 1.00 4.11 C ATOM 1434 OD1 ASN A 97 27.462 52.869 -41.730 1.00 11.22 O ATOM 1435 ND2 ASN A 97 25.273 53.071 -42.154 1.00 2.51 N ATOM 0 H ASN A 97 24.268 50.146 -42.946 1.00 24.34 H new ATOM 0 HA ASN A 97 27.203 50.142 -42.888 1.00 24.31 H new ATOM 0 HB2 ASN A 97 25.068 50.900 -40.870 1.00 32.34 H new ATOM 0 HB3 ASN A 97 26.761 50.749 -40.441 1.00 32.34 H new ATOM 0 HD21 ASN A 97 25.380 54.034 -42.473 1.00 2.51 H new ATOM 0 HD22 ASN A 97 24.351 52.634 -42.151 1.00 2.51 H new ATOM 1442 N VAL A 98 27.184 47.692 -42.343 1.00 45.14 N ATOM 1443 CA VAL A 98 27.387 46.355 -41.821 1.00 72.02 C ATOM 1444 C VAL A 98 28.436 46.370 -40.722 1.00 15.31 C ATOM 1445 O VAL A 98 29.633 46.482 -40.986 1.00 42.35 O ATOM 1446 CB VAL A 98 27.806 45.364 -42.927 1.00 44.14 C ATOM 1447 CG1 VAL A 98 28.234 44.028 -42.333 1.00 50.42 C ATOM 1448 CG2 VAL A 98 26.664 45.157 -43.906 1.00 24.02 C ATOM 0 H VAL A 98 27.730 47.910 -43.176 1.00 45.14 H new ATOM 0 HA VAL A 98 26.434 46.019 -41.411 1.00 72.02 H new ATOM 0 HB VAL A 98 28.658 45.790 -43.457 1.00 44.14 H new ATOM 0 HG11 VAL A 98 28.524 43.349 -43.135 1.00 50.42 H new ATOM 0 HG12 VAL A 98 29.081 44.182 -41.664 1.00 50.42 H new ATOM 0 HG13 VAL A 98 27.404 43.596 -41.774 1.00 50.42 H new ATOM 0 HG21 VAL A 98 26.972 44.456 -44.682 1.00 24.02 H new ATOM 0 HG22 VAL A 98 25.799 44.756 -43.377 1.00 24.02 H new ATOM 0 HG23 VAL A 98 26.399 46.110 -44.363 1.00 24.02 H new ATOM 1458 N THR A 99 27.981 46.281 -39.490 1.00 13.53 N ATOM 1459 CA THR A 99 28.881 46.198 -38.362 1.00 63.52 C ATOM 1460 C THR A 99 29.438 44.785 -38.269 1.00 34.14 C ATOM 1461 O THR A 99 28.735 43.850 -37.879 1.00 52.04 O ATOM 1462 CB THR A 99 28.167 46.580 -37.056 1.00 15.12 C ATOM 1463 OG1 THR A 99 27.590 47.890 -37.189 1.00 32.14 O ATOM 1464 CG2 THR A 99 29.130 46.551 -35.874 1.00 64.32 C ATOM 0 H THR A 99 26.991 46.264 -39.245 1.00 13.53 H new ATOM 0 HA THR A 99 29.698 46.904 -38.510 1.00 63.52 H new ATOM 0 HB THR A 99 27.380 45.851 -36.866 1.00 15.12 H new ATOM 0 HG1 THR A 99 27.133 48.132 -36.356 1.00 32.14 H new ATOM 0 HG21 THR A 99 28.597 46.826 -34.964 1.00 64.32 H new ATOM 0 HG22 THR A 99 29.542 45.548 -35.765 1.00 64.32 H new ATOM 0 HG23 THR A 99 29.940 47.259 -36.047 1.00 64.32 H new ATOM 1472 N ASP A 100 30.688 44.638 -38.677 1.00 61.11 N ATOM 1473 CA ASP A 100 31.324 43.332 -38.750 1.00 23.41 C ATOM 1474 C ASP A 100 31.577 42.754 -37.368 1.00 63.40 C ATOM 1475 O ASP A 100 31.996 43.461 -36.453 1.00 62.23 O ATOM 1476 CB ASP A 100 32.637 43.427 -39.519 1.00 14.41 C ATOM 1477 CG ASP A 100 33.378 42.114 -39.561 1.00 53.52 C ATOM 1478 OD1 ASP A 100 34.612 42.130 -39.394 1.00 4.12 O ATOM 1479 OD2 ASP A 100 32.733 41.065 -39.730 1.00 11.31 O1- ATOM 0 H ASP A 100 31.286 45.413 -38.965 1.00 61.11 H new ATOM 0 HA ASP A 100 30.643 42.663 -39.276 1.00 23.41 H new ATOM 0 HB2 ASP A 100 32.435 43.759 -40.537 1.00 14.41 H new ATOM 0 HB3 ASP A 100 33.271 44.184 -39.057 1.00 14.41 H new ATOM 1484 N ARG A 101 31.321 41.467 -37.238 1.00 1.22 N ATOM 1485 CA ARG A 101 31.513 40.762 -35.985 1.00 70.42 C ATOM 1486 C ARG A 101 32.727 39.843 -36.092 1.00 41.44 C ATOM 1487 O ARG A 101 33.237 39.347 -35.089 1.00 3.54 O ATOM 1488 CB ARG A 101 30.253 39.955 -35.662 1.00 70.04 C ATOM 1489 CG ARG A 101 30.206 39.370 -34.261 1.00 12.41 C ATOM 1490 CD ARG A 101 30.213 40.456 -33.198 1.00 13.24 C ATOM 1491 NE ARG A 101 29.802 39.944 -31.890 1.00 14.53 N ATOM 1492 CZ ARG A 101 29.667 40.701 -30.802 1.00 32.32 C ATOM 1493 NH1 ARG A 101 30.039 41.976 -30.822 1.00 20.33 N1+ ATOM 1494 NH2 ARG A 101 29.186 40.168 -29.683 1.00 52.25 N ATOM 0 H ARG A 101 30.974 40.881 -37.997 1.00 1.22 H new ATOM 0 HA ARG A 101 31.691 41.477 -35.182 1.00 70.42 H new ATOM 0 HB2 ARG A 101 29.383 40.597 -35.801 1.00 70.04 H new ATOM 0 HB3 ARG A 101 30.166 39.141 -36.382 1.00 70.04 H new ATOM 0 HG2 ARG A 101 29.310 38.759 -34.151 1.00 12.41 H new ATOM 0 HG3 ARG A 101 31.061 38.710 -34.113 1.00 12.41 H new ATOM 0 HD2 ARG A 101 31.213 40.883 -33.122 1.00 13.24 H new ATOM 0 HD3 ARG A 101 29.544 41.262 -33.499 1.00 13.24 H new ATOM 0 HE ARG A 101 29.607 38.946 -31.806 1.00 14.53 H new ATOM 0 HH11 ARG A 101 30.430 42.380 -31.673 1.00 20.33 H new ATOM 0 HH12 ARG A 101 29.933 42.551 -29.986 1.00 20.33 H new ATOM 0 HH21 ARG A 101 28.922 39.183 -29.660 1.00 52.25 H new ATOM 0 HH22 ARG A 101 29.081 40.744 -28.848 1.00 52.25 H new ATOM 1508 N LYS A 102 33.199 39.647 -37.321 1.00 25.22 N ATOM 1509 CA LYS A 102 34.307 38.738 -37.579 1.00 51.24 C ATOM 1510 C LYS A 102 35.635 39.385 -37.200 1.00 24.03 C ATOM 1511 O LYS A 102 36.404 38.835 -36.410 1.00 61.52 O ATOM 1512 CB LYS A 102 34.328 38.337 -39.057 1.00 63.24 C ATOM 1513 CG LYS A 102 33.026 37.714 -39.550 1.00 64.00 C ATOM 1514 CD LYS A 102 32.721 36.404 -38.845 1.00 42.35 C ATOM 1515 CE LYS A 102 33.830 35.388 -39.058 1.00 32.33 C ATOM 1516 NZ LYS A 102 33.509 34.083 -38.433 1.00 73.14 N1+ ATOM 0 H LYS A 102 32.829 40.107 -38.153 1.00 25.22 H new ATOM 0 HA LYS A 102 34.167 37.846 -36.968 1.00 51.24 H new ATOM 0 HB2 LYS A 102 34.547 39.219 -39.659 1.00 63.24 H new ATOM 0 HB3 LYS A 102 35.141 37.630 -39.219 1.00 63.24 H new ATOM 0 HG2 LYS A 102 32.205 38.413 -39.388 1.00 64.00 H new ATOM 0 HG3 LYS A 102 33.090 37.541 -40.624 1.00 64.00 H new ATOM 0 HD2 LYS A 102 32.591 36.585 -37.778 1.00 42.35 H new ATOM 0 HD3 LYS A 102 31.779 36.000 -39.216 1.00 42.35 H new ATOM 0 HE2 LYS A 102 33.995 35.248 -40.126 1.00 32.33 H new ATOM 0 HE3 LYS A 102 34.760 35.772 -38.640 1.00 32.33 H new ATOM 0 HZ1 LYS A 102 34.290 33.417 -38.600 1.00 73.14 H new ATOM 0 HZ2 LYS A 102 33.377 34.211 -37.409 1.00 73.14 H new ATOM 0 HZ3 LYS A 102 32.635 33.704 -38.850 1.00 73.14 H new ATOM 1530 N THR A 103 35.904 40.547 -37.778 1.00 32.11 N ATOM 1531 CA THR A 103 37.121 41.292 -37.484 1.00 65.25 C ATOM 1532 C THR A 103 36.781 42.628 -36.821 1.00 51.12 C ATOM 1533 O THR A 103 37.599 43.221 -36.116 1.00 72.12 O ATOM 1534 CB THR A 103 37.952 41.534 -38.765 1.00 3.51 C ATOM 1535 OG1 THR A 103 37.161 42.191 -39.768 1.00 71.14 O ATOM 1536 CG2 THR A 103 38.472 40.221 -39.324 1.00 15.44 C ATOM 0 H THR A 103 35.291 40.997 -38.458 1.00 32.11 H new ATOM 0 HA THR A 103 37.720 40.695 -36.796 1.00 65.25 H new ATOM 0 HB THR A 103 38.795 42.171 -38.496 1.00 3.51 H new ATOM 0 HG1 THR A 103 36.305 42.468 -39.380 1.00 71.14 H new ATOM 0 HG21 THR A 103 39.054 40.414 -40.225 1.00 15.44 H new ATOM 0 HG22 THR A 103 39.104 39.734 -38.581 1.00 15.44 H new ATOM 0 HG23 THR A 103 37.632 39.571 -39.567 1.00 15.44 H new ATOM 1544 N GLY A 104 35.559 43.089 -37.056 1.00 65.24 N ATOM 1545 CA GLY A 104 35.088 44.319 -36.454 1.00 42.41 C ATOM 1546 C GLY A 104 35.319 45.516 -37.349 1.00 24.42 C ATOM 1547 O GLY A 104 35.501 46.638 -36.875 1.00 13.23 O ATOM 0 H GLY A 104 34.880 42.626 -37.660 1.00 65.24 H new ATOM 0 HA2 GLY A 104 34.024 44.231 -36.235 1.00 42.41 H new ATOM 0 HA3 GLY A 104 35.597 44.475 -35.503 1.00 42.41 H new ATOM 1551 N GLN A 105 35.327 45.276 -38.649 1.00 51.35 N ATOM 1552 CA GLN A 105 35.484 46.345 -39.622 1.00 72.04 C ATOM 1553 C GLN A 105 34.130 46.717 -40.216 1.00 12.40 C ATOM 1554 O GLN A 105 33.609 46.009 -41.082 1.00 64.30 O ATOM 1555 CB GLN A 105 36.447 45.919 -40.734 1.00 71.44 C ATOM 1556 CG GLN A 105 37.850 45.588 -40.247 1.00 11.23 C ATOM 1557 CD GLN A 105 38.572 46.794 -39.679 1.00 44.43 C ATOM 1558 OE1 GLN A 105 39.239 47.529 -40.403 1.00 42.45 O ATOM 1559 NE2 GLN A 105 38.453 46.999 -38.378 1.00 23.32 N ATOM 0 H GLN A 105 35.226 44.347 -39.057 1.00 51.35 H new ATOM 0 HA GLN A 105 35.900 47.216 -39.116 1.00 72.04 H new ATOM 0 HB2 GLN A 105 36.035 45.047 -41.242 1.00 71.44 H new ATOM 0 HB3 GLN A 105 36.509 46.719 -41.472 1.00 71.44 H new ATOM 0 HG2 GLN A 105 37.792 44.812 -39.484 1.00 11.23 H new ATOM 0 HG3 GLN A 105 38.430 45.179 -41.074 1.00 11.23 H new ATOM 0 HE21 GLN A 105 37.889 46.365 -37.811 1.00 23.32 H new ATOM 0 HE22 GLN A 105 38.925 47.791 -37.941 1.00 23.32 H new ATOM 1568 N THR A 106 33.551 47.807 -39.728 1.00 25.35 N ATOM 1569 CA THR A 106 32.250 48.258 -40.192 1.00 43.25 C ATOM 1570 C THR A 106 32.271 48.524 -41.694 1.00 44.11 C ATOM 1571 O THR A 106 32.902 49.469 -42.168 1.00 33.22 O ATOM 1572 CB THR A 106 31.809 49.532 -39.451 1.00 61.32 C ATOM 1573 OG1 THR A 106 31.965 49.347 -38.038 1.00 1.35 O ATOM 1574 CG2 THR A 106 30.357 49.867 -39.762 1.00 5.13 C ATOM 0 H THR A 106 33.967 48.396 -39.007 1.00 25.35 H new ATOM 0 HA THR A 106 31.535 47.463 -39.981 1.00 43.25 H new ATOM 0 HB THR A 106 32.435 50.359 -39.787 1.00 61.32 H new ATOM 0 HG1 THR A 106 31.685 50.160 -37.569 1.00 1.35 H new ATOM 0 HG21 THR A 106 30.069 50.772 -39.226 1.00 5.13 H new ATOM 0 HG22 THR A 106 30.242 50.028 -40.834 1.00 5.13 H new ATOM 0 HG23 THR A 106 29.718 49.041 -39.449 1.00 5.13 H new ATOM 1582 N SER A 107 31.589 47.671 -42.434 1.00 30.10 N ATOM 1583 CA SER A 107 31.545 47.780 -43.874 1.00 71.15 C ATOM 1584 C SER A 107 30.375 48.662 -44.295 1.00 42.21 C ATOM 1585 O SER A 107 29.253 48.184 -44.477 1.00 53.14 O ATOM 1586 CB SER A 107 31.425 46.386 -44.493 1.00 62.32 C ATOM 1587 OG SER A 107 32.371 45.499 -43.911 1.00 35.01 O ATOM 0 H SER A 107 31.055 46.889 -42.055 1.00 30.10 H new ATOM 0 HA SER A 107 32.466 48.241 -44.231 1.00 71.15 H new ATOM 0 HB2 SER A 107 30.416 46.001 -44.343 1.00 62.32 H new ATOM 0 HB3 SER A 107 31.587 46.445 -45.569 1.00 62.32 H new ATOM 0 HG SER A 107 32.280 44.612 -44.317 1.00 35.01 H new ATOM 1593 N THR A 108 30.633 49.957 -44.396 1.00 61.34 N ATOM 1594 CA THR A 108 29.625 50.909 -44.822 1.00 45.01 C ATOM 1595 C THR A 108 29.546 50.951 -46.346 1.00 51.14 C ATOM 1596 O THR A 108 30.462 51.433 -47.015 1.00 24.12 O ATOM 1597 CB THR A 108 29.933 52.316 -44.276 1.00 51.54 C ATOM 1598 OG1 THR A 108 30.078 52.262 -42.851 1.00 42.23 O ATOM 1599 CG2 THR A 108 28.824 53.291 -44.631 1.00 12.31 C ATOM 0 H THR A 108 31.540 50.373 -44.186 1.00 61.34 H new ATOM 0 HA THR A 108 28.664 50.585 -44.423 1.00 45.01 H new ATOM 0 HB THR A 108 30.861 52.662 -44.731 1.00 51.54 H new ATOM 0 HG1 THR A 108 29.218 52.462 -42.427 1.00 42.23 H new ATOM 0 HG21 THR A 108 29.066 54.277 -44.234 1.00 12.31 H new ATOM 0 HG22 THR A 108 28.725 53.350 -45.715 1.00 12.31 H new ATOM 0 HG23 THR A 108 27.884 52.946 -44.199 1.00 12.31 H new ATOM 1607 N ILE A 109 28.456 50.425 -46.884 1.00 13.34 N ATOM 1608 CA ILE A 109 28.268 50.347 -48.324 1.00 55.11 C ATOM 1609 C ILE A 109 27.206 51.339 -48.789 1.00 14.15 C ATOM 1610 O ILE A 109 26.025 51.193 -48.468 1.00 1.14 O ATOM 1611 CB ILE A 109 27.860 48.921 -48.759 1.00 61.20 C ATOM 1612 CG1 ILE A 109 28.880 47.904 -48.248 1.00 73.01 C ATOM 1613 CG2 ILE A 109 27.750 48.840 -50.276 1.00 4.42 C ATOM 1614 CD1 ILE A 109 28.517 46.465 -48.562 1.00 12.41 C ATOM 0 H ILE A 109 27.683 50.043 -46.339 1.00 13.34 H new ATOM 0 HA ILE A 109 29.222 50.598 -48.788 1.00 55.11 H new ATOM 0 HB ILE A 109 26.886 48.690 -48.328 1.00 61.20 H new ATOM 0 HG12 ILE A 109 29.853 48.128 -48.685 1.00 73.01 H new ATOM 0 HG13 ILE A 109 28.982 48.016 -47.169 1.00 73.01 H new ATOM 0 HG21 ILE A 109 27.462 47.830 -50.566 1.00 4.42 H new ATOM 0 HG22 ILE A 109 26.997 49.546 -50.624 1.00 4.42 H new ATOM 0 HG23 ILE A 109 28.713 49.086 -50.724 1.00 4.42 H new ATOM 0 HD11 ILE A 109 29.287 45.801 -48.169 1.00 12.41 H new ATOM 0 HD12 ILE A 109 27.559 46.223 -48.102 1.00 12.41 H new ATOM 0 HD13 ILE A 109 28.444 46.336 -49.642 1.00 12.41 H new ATOM 1626 N GLN A 110 27.632 52.359 -49.517 1.00 42.43 N ATOM 1627 CA GLN A 110 26.712 53.325 -50.097 1.00 3.53 C ATOM 1628 C GLN A 110 26.259 52.863 -51.478 1.00 10.22 C ATOM 1629 O GLN A 110 27.070 52.700 -52.389 1.00 61.10 O ATOM 1630 CB GLN A 110 27.375 54.697 -50.206 1.00 51.25 C ATOM 1631 CG GLN A 110 27.776 55.294 -48.872 1.00 2.41 C ATOM 1632 CD GLN A 110 28.500 56.610 -49.034 1.00 4.14 C ATOM 1633 OE1 GLN A 110 27.884 57.675 -49.048 1.00 23.33 O ATOM 1634 NE2 GLN A 110 29.812 56.544 -49.172 1.00 32.10 N ATOM 0 H GLN A 110 28.615 52.540 -49.721 1.00 42.43 H new ATOM 0 HA GLN A 110 25.843 53.403 -49.444 1.00 3.53 H new ATOM 0 HB2 GLN A 110 28.261 54.612 -50.836 1.00 51.25 H new ATOM 0 HB3 GLN A 110 26.691 55.381 -50.708 1.00 51.25 H new ATOM 0 HG2 GLN A 110 26.887 55.443 -48.260 1.00 2.41 H new ATOM 0 HG3 GLN A 110 28.416 54.592 -48.339 1.00 2.41 H new ATOM 0 HE21 GLN A 110 30.282 55.639 -49.154 1.00 32.10 H new ATOM 0 HE22 GLN A 110 30.355 57.398 -49.296 1.00 32.10 H new ATOM 1643 N VAL A 111 24.962 52.648 -51.619 1.00 22.34 N ATOM 1644 CA VAL A 111 24.383 52.241 -52.892 1.00 74.24 C ATOM 1645 C VAL A 111 24.319 53.442 -53.842 1.00 21.00 C ATOM 1646 O VAL A 111 24.414 54.588 -53.395 1.00 75.11 O ATOM 1647 CB VAL A 111 22.970 51.634 -52.686 1.00 73.33 C ATOM 1648 CG1 VAL A 111 22.423 51.042 -53.976 1.00 13.23 C ATOM 1649 CG2 VAL A 111 23.000 50.576 -51.589 1.00 44.35 C ATOM 0 H VAL A 111 24.285 52.749 -50.863 1.00 22.34 H new ATOM 0 HA VAL A 111 25.017 51.473 -53.334 1.00 74.24 H new ATOM 0 HB VAL A 111 22.304 52.441 -52.381 1.00 73.33 H new ATOM 0 HG11 VAL A 111 21.432 50.626 -53.794 1.00 13.23 H new ATOM 0 HG12 VAL A 111 22.355 51.822 -54.734 1.00 13.23 H new ATOM 0 HG13 VAL A 111 23.089 50.253 -54.325 1.00 13.23 H new ATOM 0 HG21 VAL A 111 22.001 50.160 -51.457 1.00 44.35 H new ATOM 0 HG22 VAL A 111 23.690 49.780 -51.870 1.00 44.35 H new ATOM 0 HG23 VAL A 111 23.330 51.030 -50.655 1.00 44.35 H new ATOM 1659 N SER A 112 24.174 53.163 -55.140 1.00 13.43 N ATOM 1660 CA SER A 112 24.137 54.189 -56.183 1.00 25.44 C ATOM 1661 C SER A 112 25.537 54.734 -56.453 1.00 41.43 C ATOM 1662 O SER A 112 25.703 55.854 -56.944 1.00 54.32 O ATOM 1663 CB SER A 112 23.177 55.326 -55.810 1.00 73.52 C ATOM 1664 OG SER A 112 21.870 54.832 -55.556 1.00 50.04 O ATOM 0 H SER A 112 24.078 52.213 -55.498 1.00 13.43 H new ATOM 0 HA SER A 112 23.766 53.723 -57.096 1.00 25.44 H new ATOM 0 HB2 SER A 112 23.550 55.846 -54.927 1.00 73.52 H new ATOM 0 HB3 SER A 112 23.142 56.056 -56.619 1.00 73.52 H new ATOM 0 HG SER A 112 21.279 55.577 -55.319 1.00 50.04 H new ATOM 1670 N GLY A 113 26.541 53.915 -56.162 1.00 3.12 N ATOM 1671 CA GLY A 113 27.917 54.301 -56.407 1.00 51.54 C ATOM 1672 C GLY A 113 28.323 54.052 -57.846 1.00 51.43 C ATOM 1673 O GLY A 113 28.944 54.903 -58.480 1.00 53.21 O ATOM 0 H GLY A 113 26.425 52.985 -55.758 1.00 3.12 H new ATOM 0 HA2 GLY A 113 28.046 55.357 -56.170 1.00 51.54 H new ATOM 0 HA3 GLY A 113 28.575 53.743 -55.742 1.00 51.54 H new ATOM 1677 N LEU A 114 27.956 52.889 -58.371 1.00 24.32 N ATOM 1678 CA LEU A 114 28.277 52.543 -59.746 1.00 41.32 C ATOM 1679 C LEU A 114 27.110 52.859 -60.672 1.00 21.34 C ATOM 1680 O LEU A 114 26.183 52.062 -60.820 1.00 34.33 O ATOM 1681 CB LEU A 114 28.656 51.062 -59.870 1.00 64.43 C ATOM 1682 CG LEU A 114 30.037 50.686 -59.329 1.00 3.52 C ATOM 1683 CD1 LEU A 114 30.260 49.189 -59.436 1.00 71.24 C ATOM 1684 CD2 LEU A 114 31.118 51.440 -60.085 1.00 25.04 C ATOM 0 H LEU A 114 27.437 52.172 -57.864 1.00 24.32 H new ATOM 0 HA LEU A 114 29.135 53.146 -60.044 1.00 41.32 H new ATOM 0 HB2 LEU A 114 27.906 50.468 -59.347 1.00 64.43 H new ATOM 0 HB3 LEU A 114 28.608 50.780 -60.922 1.00 64.43 H new ATOM 0 HG LEU A 114 30.087 50.965 -58.277 1.00 3.52 H new ATOM 0 HD11 LEU A 114 31.247 48.939 -59.047 1.00 71.24 H new ATOM 0 HD12 LEU A 114 29.499 48.665 -58.858 1.00 71.24 H new ATOM 0 HD13 LEU A 114 30.195 48.885 -60.481 1.00 71.24 H new ATOM 0 HD21 LEU A 114 32.097 51.165 -59.692 1.00 25.04 H new ATOM 0 HD22 LEU A 114 31.067 51.185 -61.143 1.00 25.04 H new ATOM 0 HD23 LEU A 114 30.967 52.513 -59.963 1.00 25.04 H new ATOM 1696 N GLN A 115 27.152 54.032 -61.277 1.00 45.34 N ATOM 1697 CA GLN A 115 26.132 54.430 -62.232 1.00 40.42 C ATOM 1698 C GLN A 115 26.653 54.249 -63.650 1.00 4.04 C ATOM 1699 O GLN A 115 27.854 54.387 -63.901 1.00 53.53 O ATOM 1700 CB GLN A 115 25.708 55.880 -62.001 1.00 34.14 C ATOM 1701 CG GLN A 115 24.996 56.099 -60.677 1.00 25.34 C ATOM 1702 CD GLN A 115 24.462 57.511 -60.530 1.00 62.34 C ATOM 1703 OE1 GLN A 115 25.026 58.462 -61.072 1.00 30.31 O ATOM 1704 NE2 GLN A 115 23.374 57.661 -59.792 1.00 61.02 N ATOM 0 H GLN A 115 27.882 54.727 -61.124 1.00 45.34 H new ATOM 0 HA GLN A 115 25.257 53.796 -62.091 1.00 40.42 H new ATOM 0 HB2 GLN A 115 26.590 56.519 -62.040 1.00 34.14 H new ATOM 0 HB3 GLN A 115 25.052 56.192 -62.813 1.00 34.14 H new ATOM 0 HG2 GLN A 115 24.171 55.392 -60.591 1.00 25.34 H new ATOM 0 HG3 GLN A 115 25.684 55.888 -59.859 1.00 25.34 H new ATOM 0 HE21 GLN A 115 22.935 56.848 -59.359 1.00 61.02 H new ATOM 0 HE22 GLN A 115 22.974 58.589 -59.656 1.00 61.02 H new ATOM 1713 N ASN A 116 25.757 53.935 -64.569 1.00 43.54 N ATOM 1714 CA ASN A 116 26.134 53.705 -65.955 1.00 10.42 C ATOM 1715 C ASN A 116 25.035 54.205 -66.881 1.00 30.14 C ATOM 1716 O ASN A 116 23.917 53.688 -66.869 1.00 42.14 O ATOM 1717 CB ASN A 116 26.397 52.215 -66.200 1.00 13.45 C ATOM 1718 CG ASN A 116 26.896 51.935 -67.607 1.00 41.32 C ATOM 1719 OD1 ASN A 116 26.110 51.689 -68.520 1.00 22.52 O ATOM 1720 ND2 ASN A 116 28.208 51.979 -67.795 1.00 63.44 N ATOM 0 H ASN A 116 24.760 53.833 -64.381 1.00 43.54 H new ATOM 0 HA ASN A 116 27.052 54.255 -66.164 1.00 10.42 H new ATOM 0 HB2 ASN A 116 27.132 51.856 -65.479 1.00 13.45 H new ATOM 0 HB3 ASN A 116 25.479 51.654 -66.025 1.00 13.45 H new ATOM 0 HD21 ASN A 116 28.596 51.805 -68.722 1.00 63.44 H new ATOM 0 HD22 ASN A 116 28.829 52.186 -67.013 1.00 63.44 H new ATOM 1727 N ASN A 117 25.354 55.216 -67.672 1.00 33.24 N ATOM 1728 CA ASN A 117 24.375 55.829 -68.560 1.00 2.33 C ATOM 1729 C ASN A 117 24.266 55.042 -69.867 1.00 51.41 C ATOM 1730 O ASN A 117 25.252 54.868 -70.584 1.00 1.42 O ATOM 1731 CB ASN A 117 24.770 57.280 -68.847 1.00 61.13 C ATOM 1732 CG ASN A 117 23.668 58.078 -69.521 1.00 30.42 C ATOM 1733 OD1 ASN A 117 22.483 57.851 -69.286 1.00 34.24 O ATOM 1734 ND2 ASN A 117 24.055 59.026 -70.359 1.00 5.04 N ATOM 0 H ASN A 117 26.284 55.632 -67.719 1.00 33.24 H new ATOM 0 HA ASN A 117 23.402 55.815 -68.070 1.00 2.33 H new ATOM 0 HB2 ASN A 117 25.042 57.768 -67.911 1.00 61.13 H new ATOM 0 HB3 ASN A 117 25.657 57.290 -69.481 1.00 61.13 H new ATOM 0 HD21 ASN A 117 23.360 59.599 -70.837 1.00 5.04 H new ATOM 0 HD22 ASN A 117 25.049 59.183 -70.527 1.00 5.04 H new ATOM 1741 N SER A 118 23.076 54.537 -70.154 1.00 14.15 N ATOM 1742 CA SER A 118 22.822 53.820 -71.394 1.00 75.22 C ATOM 1743 C SER A 118 21.412 54.119 -71.888 1.00 42.11 C ATOM 1744 O SER A 118 20.488 54.268 -71.083 1.00 3.43 O ATOM 1745 CB SER A 118 22.994 52.313 -71.185 1.00 22.31 C ATOM 1746 OG SER A 118 24.303 52.007 -70.731 1.00 43.44 O ATOM 0 H SER A 118 22.265 54.612 -69.540 1.00 14.15 H new ATOM 0 HA SER A 118 23.541 54.152 -72.143 1.00 75.22 H new ATOM 0 HB2 SER A 118 22.262 51.957 -70.460 1.00 22.31 H new ATOM 0 HB3 SER A 118 22.798 51.788 -72.120 1.00 22.31 H new ATOM 0 HG SER A 118 24.336 52.081 -69.754 1.00 43.44 H new ATOM 1752 N THR A 119 21.249 54.224 -73.200 1.00 1.13 N ATOM 1753 CA THR A 119 19.949 54.514 -73.777 1.00 11.34 C ATOM 1754 C THR A 119 19.911 54.152 -75.261 1.00 73.20 C ATOM 1755 O THR A 119 20.943 54.145 -75.939 1.00 53.00 O ATOM 1756 CB THR A 119 19.577 56.007 -73.595 1.00 14.15 C ATOM 1757 OG1 THR A 119 18.231 56.244 -74.032 1.00 61.21 O ATOM 1758 CG2 THR A 119 20.532 56.912 -74.364 1.00 31.13 C ATOM 0 H THR A 119 22.000 54.113 -73.881 1.00 1.13 H new ATOM 0 HA THR A 119 19.218 53.903 -73.248 1.00 11.34 H new ATOM 0 HB THR A 119 19.659 56.241 -72.534 1.00 14.15 H new ATOM 0 HG1 THR A 119 18.009 57.191 -73.910 1.00 61.21 H new ATOM 0 HG21 THR A 119 20.245 57.953 -74.216 1.00 31.13 H new ATOM 0 HG22 THR A 119 21.548 56.761 -74.001 1.00 31.13 H new ATOM 0 HG23 THR A 119 20.487 56.670 -75.426 1.00 31.13 H new ATOM 1766 N ASP A 120 18.726 53.831 -75.751 1.00 14.24 N ATOM 1767 CA ASP A 120 18.523 53.578 -77.167 1.00 62.41 C ATOM 1768 C ASP A 120 17.325 54.386 -77.644 1.00 11.22 C ATOM 1769 O ASP A 120 16.240 54.294 -77.069 1.00 34.13 O ATOM 1770 CB ASP A 120 18.311 52.084 -77.423 1.00 21.11 C ATOM 1771 CG ASP A 120 18.353 51.738 -78.896 1.00 5.01 C ATOM 1772 OD1 ASP A 120 19.195 52.311 -79.623 1.00 42.22 O ATOM 1773 OD2 ASP A 120 17.569 50.872 -79.326 1.00 22.14 O1- ATOM 0 H ASP A 120 17.883 53.739 -75.184 1.00 14.24 H new ATOM 0 HA ASP A 120 19.409 53.883 -77.724 1.00 62.41 H new ATOM 0 HB2 ASP A 120 19.078 51.516 -76.897 1.00 21.11 H new ATOM 0 HB3 ASP A 120 17.350 51.780 -77.009 1.00 21.11 H new ATOM 1778 N PHE A 121 17.526 55.191 -78.675 1.00 13.21 N ATOM 1779 CA PHE A 121 16.528 56.170 -79.080 1.00 25.12 C ATOM 1780 C PHE A 121 15.586 55.600 -80.139 1.00 43.12 C ATOM 1781 O PHE A 121 14.449 55.237 -79.831 1.00 24.43 O ATOM 1782 CB PHE A 121 17.225 57.434 -79.596 1.00 11.52 C ATOM 1783 CG PHE A 121 16.323 58.632 -79.694 1.00 23.13 C ATOM 1784 CD1 PHE A 121 15.886 59.092 -80.924 1.00 75.24 C ATOM 1785 CD2 PHE A 121 15.916 59.299 -78.551 1.00 41.35 C ATOM 1786 CE1 PHE A 121 15.062 60.196 -81.011 1.00 60.15 C ATOM 1787 CE2 PHE A 121 15.089 60.403 -78.631 1.00 43.42 C ATOM 1788 CZ PHE A 121 14.662 60.852 -79.864 1.00 30.42 C ATOM 0 H PHE A 121 18.371 55.186 -79.247 1.00 13.21 H new ATOM 0 HA PHE A 121 15.922 56.426 -78.211 1.00 25.12 H new ATOM 0 HB2 PHE A 121 18.058 57.673 -78.935 1.00 11.52 H new ATOM 0 HB3 PHE A 121 17.647 57.228 -80.580 1.00 11.52 H new ATOM 0 HD1 PHE A 121 16.193 58.582 -81.825 1.00 75.24 H new ATOM 0 HD2 PHE A 121 16.249 58.952 -77.584 1.00 41.35 H new ATOM 0 HE1 PHE A 121 14.730 60.547 -81.977 1.00 60.15 H new ATOM 0 HE2 PHE A 121 14.778 60.913 -77.731 1.00 43.42 H new ATOM 0 HZ PHE A 121 14.016 61.715 -79.932 1.00 30.42 H new ATOM 1798 N HIS A 122 16.076 55.510 -81.381 1.00 74.33 N ATOM 1799 CA HIS A 122 15.280 55.049 -82.526 1.00 33.51 C ATOM 1800 C HIS A 122 14.196 56.059 -82.904 1.00 61.51 C ATOM 1801 O HIS A 122 13.788 56.894 -82.100 1.00 44.21 O ATOM 1802 CB HIS A 122 14.634 53.683 -82.263 1.00 14.54 C ATOM 1803 CG HIS A 122 15.597 52.535 -82.230 1.00 14.41 C ATOM 1804 ND1 HIS A 122 15.210 51.251 -81.931 1.00 72.31 N ATOM 1805 CD2 HIS A 122 16.928 52.475 -82.480 1.00 55.51 C ATOM 1806 CE1 HIS A 122 16.254 50.450 -81.997 1.00 74.34 C ATOM 1807 NE2 HIS A 122 17.314 51.165 -82.329 1.00 72.12 N ATOM 0 H HIS A 122 17.037 55.755 -81.621 1.00 74.33 H new ATOM 0 HA HIS A 122 15.976 54.950 -83.359 1.00 33.51 H new ATOM 0 HB2 HIS A 122 14.104 53.723 -81.311 1.00 14.54 H new ATOM 0 HB3 HIS A 122 13.889 53.493 -83.035 1.00 14.54 H new ATOM 0 HD2 HIS A 122 17.567 53.304 -82.748 1.00 55.51 H new ATOM 0 HE1 HIS A 122 16.245 49.386 -81.811 1.00 74.34 H new ATOM 0 HE2 HIS A 122 18.260 50.805 -82.453 1.00 72.12 H new ATOM 1816 N HIS A 123 13.750 55.985 -84.146 1.00 41.22 N ATOM 1817 CA HIS A 123 12.633 56.790 -84.614 1.00 40.20 C ATOM 1818 C HIS A 123 11.490 55.877 -85.031 1.00 14.21 C ATOM 1819 O HIS A 123 10.369 56.003 -84.534 1.00 55.44 O ATOM 1820 CB HIS A 123 13.044 57.687 -85.785 1.00 64.15 C ATOM 1821 CG HIS A 123 13.834 58.895 -85.385 1.00 33.35 C ATOM 1822 ND1 HIS A 123 14.651 59.580 -86.256 1.00 51.31 N ATOM 1823 CD2 HIS A 123 13.912 59.555 -84.207 1.00 23.32 C ATOM 1824 CE1 HIS A 123 15.193 60.606 -85.633 1.00 62.03 C ATOM 1825 NE2 HIS A 123 14.764 60.615 -84.387 1.00 11.12 N ATOM 0 H HIS A 123 14.148 55.370 -84.855 1.00 41.22 H new ATOM 0 HA HIS A 123 12.309 57.436 -83.798 1.00 40.20 H new ATOM 0 HB2 HIS A 123 13.632 57.099 -86.490 1.00 64.15 H new ATOM 0 HB3 HIS A 123 12.147 58.012 -86.312 1.00 64.15 H new ATOM 0 HD1 HIS A 123 14.812 59.332 -87.232 1.00 51.31 H new ATOM 0 HD2 HIS A 123 13.398 59.295 -83.293 1.00 23.32 H new ATOM 0 HE1 HIS A 123 15.875 61.320 -86.070 1.00 62.03 H new ATOM 1834 N HIS A 124 11.787 54.954 -85.943 1.00 75.21 N ATOM 1835 CA HIS A 124 10.815 53.958 -86.388 1.00 61.31 C ATOM 1836 C HIS A 124 11.505 52.931 -87.284 1.00 45.43 C ATOM 1837 O HIS A 124 11.520 51.740 -86.974 1.00 72.22 O ATOM 1838 CB HIS A 124 9.656 54.622 -87.144 1.00 55.11 C ATOM 1839 CG HIS A 124 8.428 53.766 -87.249 1.00 30.43 C ATOM 1840 ND1 HIS A 124 7.202 54.135 -86.731 1.00 72.32 N ATOM 1841 CD2 HIS A 124 8.236 52.556 -87.824 1.00 11.23 C ATOM 1842 CE1 HIS A 124 6.317 53.187 -86.978 1.00 60.11 C ATOM 1843 NE2 HIS A 124 6.921 52.223 -87.639 1.00 42.31 N ATOM 0 H HIS A 124 12.700 54.875 -86.391 1.00 75.21 H new ATOM 0 HA HIS A 124 10.405 53.457 -85.511 1.00 61.31 H new ATOM 0 HB2 HIS A 124 9.395 55.554 -86.643 1.00 55.11 H new ATOM 0 HB3 HIS A 124 9.992 54.883 -88.148 1.00 55.11 H new ATOM 0 HD2 HIS A 124 8.981 51.963 -88.334 1.00 11.23 H new ATOM 0 HE1 HIS A 124 5.277 53.200 -86.688 1.00 60.11 H new ATOM 0 HE2 HIS A 124 6.479 51.363 -87.963 1.00 42.31 H new ATOM 1852 N HIS A 125 12.069 53.416 -88.394 1.00 33.11 N ATOM 1853 CA HIS A 125 12.827 52.585 -89.340 1.00 42.42 C ATOM 1854 C HIS A 125 11.966 51.515 -90.012 1.00 12.25 C ATOM 1855 O HIS A 125 10.813 51.295 -89.643 1.00 65.23 O ATOM 1856 CB HIS A 125 14.017 51.918 -88.645 1.00 11.44 C ATOM 1857 CG HIS A 125 15.327 52.596 -88.897 1.00 60.43 C ATOM 1858 ND1 HIS A 125 16.489 51.906 -89.160 1.00 71.41 N ATOM 1859 CD2 HIS A 125 15.664 53.905 -88.907 1.00 3.32 C ATOM 1860 CE1 HIS A 125 17.480 52.760 -89.315 1.00 54.41 C ATOM 1861 NE2 HIS A 125 17.010 53.985 -89.165 1.00 54.24 N ATOM 0 H HIS A 125 12.014 54.398 -88.664 1.00 33.11 H new ATOM 0 HA HIS A 125 13.184 53.259 -90.119 1.00 42.42 H new ATOM 0 HB2 HIS A 125 13.832 51.896 -87.571 1.00 11.44 H new ATOM 0 HB3 HIS A 125 14.085 50.882 -88.978 1.00 11.44 H new ATOM 0 HD2 HIS A 125 14.996 54.737 -88.742 1.00 3.32 H new ATOM 0 HE1 HIS A 125 18.506 52.501 -89.529 1.00 54.41 H new ATOM 0 HE2 HIS A 125 17.555 54.845 -89.230 1.00 54.24 H new ATOM 1870 N HIS A 126 12.544 50.883 -91.029 1.00 22.41 N ATOM 1871 CA HIS A 126 11.945 49.734 -91.697 1.00 73.13 C ATOM 1872 C HIS A 126 12.907 49.197 -92.748 1.00 14.44 C ATOM 1873 O HIS A 126 13.740 49.941 -93.271 1.00 61.23 O ATOM 1874 CB HIS A 126 10.592 50.077 -92.349 1.00 23.41 C ATOM 1875 CG HIS A 126 10.647 51.110 -93.442 1.00 43.53 C ATOM 1876 ND1 HIS A 126 10.133 52.380 -93.297 1.00 63.22 N ATOM 1877 CD2 HIS A 126 11.131 51.046 -94.708 1.00 54.42 C ATOM 1878 CE1 HIS A 126 10.297 53.051 -94.423 1.00 42.22 C ATOM 1879 NE2 HIS A 126 10.901 52.265 -95.292 1.00 15.42 N ATOM 0 H HIS A 126 13.448 51.156 -91.415 1.00 22.41 H new ATOM 0 HA HIS A 126 11.755 48.973 -90.940 1.00 73.13 H new ATOM 0 HB2 HIS A 126 10.162 49.162 -92.758 1.00 23.41 H new ATOM 0 HB3 HIS A 126 9.913 50.429 -91.573 1.00 23.41 H new ATOM 0 HD2 HIS A 126 11.608 50.194 -95.169 1.00 54.42 H new ATOM 0 HE1 HIS A 126 9.989 54.071 -94.601 1.00 42.22 H new ATOM 0 HE2 HIS A 126 11.156 52.522 -96.245 1.00 15.42 H new ATOM 1888 N HIS A 127 12.805 47.913 -93.037 1.00 12.35 N ATOM 1889 CA HIS A 127 13.569 47.311 -94.116 1.00 31.34 C ATOM 1890 C HIS A 127 12.615 46.854 -95.209 1.00 12.31 C ATOM 1891 O HIS A 127 12.124 45.709 -95.127 1.00 54.42 O ATOM 1892 CB HIS A 127 14.403 46.122 -93.621 1.00 12.42 C ATOM 1893 CG HIS A 127 15.499 46.488 -92.668 1.00 22.42 C ATOM 1894 ND1 HIS A 127 16.560 47.288 -93.017 1.00 5.05 N ATOM 1895 CD2 HIS A 127 15.703 46.137 -91.378 1.00 4.12 C ATOM 1896 CE1 HIS A 127 17.372 47.413 -91.986 1.00 42.13 C ATOM 1897 NE2 HIS A 127 16.877 46.722 -90.977 1.00 54.43 N ATOM 1898 OXT HIS A 127 12.332 47.653 -96.121 1.00 0.00 O1- ATOM 0 H HIS A 127 12.198 47.263 -92.537 1.00 12.35 H new ATOM 0 HA HIS A 127 14.258 48.059 -94.508 1.00 31.34 H new ATOM 0 HB2 HIS A 127 13.740 45.406 -93.135 1.00 12.42 H new ATOM 0 HB3 HIS A 127 14.841 45.617 -94.482 1.00 12.42 H new ATOM 0 HD2 HIS A 127 15.061 45.512 -90.775 1.00 4.12 H new ATOM 0 HE1 HIS A 127 18.288 47.985 -91.970 1.00 42.13 H new ATOM 0 HE2 HIS A 127 17.298 46.637 -90.052 1.00 54.43 H new TER 1907 HIS A 127