USER MOD reduce.3.24.130724 H: found=0, std=0, add=1230, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1230 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 33 ASN : amide:sc= -0.202 K(o=-2.1,f=-3) USER MOD Set 1.2: A 84 ASN :FLIP amide:sc= -1.94! C(o=-4.3!,f=-2.1!) USER MOD Single : A 1 ASN : amide:sc= -1.03 K(o=-1,f=-4.8!) USER MOD Single : A 1 ASN N :NH3+ -157:sc= 0.488 (180deg=0.323) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= -8.01! C(o=-8!,f=-10!) USER MOD Single : A 9 SER OG : rot 44:sc= 0.14 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0732 USER MOD Single : A 13 LYS NZ :NH3+ -135:sc= 0.885 (180deg=0.098) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot -77:sc= 0.917 USER MOD Single : A 21 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0179) USER MOD Single : A 22 THR OG1 : rot 78:sc= 1.17 USER MOD Single : A 34 ASN : amide:sc= -0.429 K(o=-0.43,f=-7.3!) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 17:sc= 0.783 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -140:sc= -1.07 (180deg=-3.19!) USER MOD Single : A 49 LYS NZ :NH3+ -142:sc= -1.35 (180deg=-3.56!) USER MOD Single : A 54 TYR OH : rot 180:sc= 0.002 USER MOD Single : A 59 GLN : amide:sc= -4.36! C(o=-4.4!,f=-8.3!) USER MOD Single : A 63 HIS : no HD1:sc= -1.19 K(o=-1.2,f=-3.5!) USER MOD Single : A 64 THR OG1 : rot 41:sc= -2.18! USER MOD Single : A 70 LYS NZ :NH3+ -147:sc= 0.755 (180deg=-0.2) USER MOD Single : A 76 THR OG1 : rot -84:sc= 1.04 USER MOD Single : A 93 ASN : amide:sc= 1.02 K(o=1,f=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 95:sc= -0.651 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 162:sc= 0.914 (180deg=0.615) USER MOD Single : A 109 THR OG1 : rot -11:sc= 0.683 USER MOD Single : A 115 HIS : +bothHN:sc= -4.62! C(o=-4.6!,f=-11!) USER MOD Single : A 116 THR OG1 : rot 180:sc= -0.268 USER MOD Single : A 117 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 121 MET CE :methyl 166:sc= -0.062 (180deg=-0.466) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0.0102 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 HIS : no HE2:sc= -0.984! C(o=-0.98!,f=-3.7!) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 ASN : amide:sc= -1.66 X(o=-1.7,f=-1.4) USER MOD Single : A 133 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 THR OG1 : rot 180:sc= 0 USER MOD Single : A 142 GLN : amide:sc= -0.0457 X(o=-0.046,f=-0.042) USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD Single : A 145 GLN : amide:sc= -1.73! C(o=-1.7!,f=-5.3!) USER MOD Single : A 147 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.713) USER MOD Single : A 154 LYS NZ :NH3+ -142:sc= 1.68 (180deg=0.0689) USER MOD Single : A 155 LYS NZ :NH3+ -151:sc= -2.08! (180deg=-3.95!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 5.599 13.668 -7.933 1.00 1.65 N ATOM 2 CA ASN A 1 5.695 13.375 -6.484 1.00 1.32 C ATOM 3 C ASN A 1 7.128 12.995 -6.124 1.00 1.24 C ATOM 4 O ASN A 1 8.002 13.060 -6.979 1.00 1.61 O ATOM 5 CB ASN A 1 4.720 12.252 -6.091 1.00 1.23 C ATOM 6 CG ASN A 1 5.040 10.916 -6.741 1.00 1.26 C ATOM 7 OD1 ASN A 1 5.603 10.864 -7.829 1.00 1.66 O ATOM 8 ND2 ASN A 1 4.662 9.825 -6.084 1.00 1.42 N ATOM 0 H1 ASN A 1 4.776 14.279 -8.110 1.00 1.65 H new ATOM 0 H2 ASN A 1 6.464 14.152 -8.247 1.00 1.65 H new ATOM 0 H3 ASN A 1 5.489 12.778 -8.461 1.00 1.65 H new ATOM 0 HA ASN A 1 5.419 14.270 -5.926 1.00 1.32 H new ATOM 0 HB2 ASN A 1 4.734 12.132 -5.008 1.00 1.23 H new ATOM 0 HB3 ASN A 1 3.708 12.548 -6.366 1.00 1.23 H new ATOM 0 HD21 ASN A 1 4.838 8.903 -6.483 1.00 1.42 H new ATOM 0 HD22 ASN A 1 4.196 9.909 -5.181 1.00 1.42 H new ATOM 17 N TYR A 2 7.352 12.689 -4.837 1.00 1.16 N ATOM 18 CA TYR A 2 8.617 12.137 -4.292 1.00 1.12 C ATOM 19 C TYR A 2 9.760 13.156 -4.305 1.00 1.22 C ATOM 20 O TYR A 2 10.512 13.241 -3.343 1.00 1.20 O ATOM 21 CB TYR A 2 9.035 10.780 -4.929 1.00 1.31 C ATOM 22 CG TYR A 2 9.545 10.806 -6.362 1.00 1.67 C ATOM 23 CD1 TYR A 2 10.781 11.353 -6.680 1.00 2.21 C ATOM 24 CD2 TYR A 2 8.789 10.262 -7.394 1.00 1.84 C ATOM 25 CE1 TYR A 2 11.247 11.364 -7.980 1.00 2.90 C ATOM 26 CE2 TYR A 2 9.247 10.270 -8.697 1.00 2.43 C ATOM 27 CZ TYR A 2 10.477 10.823 -8.984 1.00 2.97 C ATOM 28 OH TYR A 2 10.940 10.835 -10.279 1.00 3.73 O ATOM 0 H TYR A 2 6.640 12.820 -4.119 1.00 1.16 H new ATOM 0 HA TYR A 2 8.401 11.917 -3.247 1.00 1.12 H new ATOM 0 HB2 TYR A 2 9.811 10.339 -4.303 1.00 1.31 H new ATOM 0 HB3 TYR A 2 8.176 10.111 -4.890 1.00 1.31 H new ATOM 0 HD1 TYR A 2 11.390 11.778 -5.896 1.00 2.21 H new ATOM 0 HD2 TYR A 2 7.826 9.825 -7.173 1.00 1.84 H new ATOM 0 HE1 TYR A 2 12.211 11.795 -8.207 1.00 2.90 H new ATOM 0 HE2 TYR A 2 8.645 9.845 -9.487 1.00 2.43 H new ATOM 0 HH TYR A 2 10.278 10.414 -10.867 1.00 3.73 H new ATOM 38 N ASP A 3 9.878 13.939 -5.369 1.00 1.44 N ATOM 39 CA ASP A 3 10.884 14.993 -5.419 1.00 1.65 C ATOM 40 C ASP A 3 10.559 16.084 -4.394 1.00 1.53 C ATOM 41 O ASP A 3 11.405 16.423 -3.563 1.00 1.62 O ATOM 42 CB ASP A 3 11.006 15.579 -6.829 1.00 1.99 C ATOM 43 CG ASP A 3 11.986 16.731 -6.887 1.00 2.44 C ATOM 44 OD1 ASP A 3 13.199 16.481 -7.042 1.00 2.78 O ATOM 45 OD2 ASP A 3 11.551 17.893 -6.780 1.00 2.63 O ATOM 0 H ASP A 3 9.295 13.866 -6.203 1.00 1.44 H new ATOM 0 HA ASP A 3 11.850 14.556 -5.164 1.00 1.65 H new ATOM 0 HB2 ASP A 3 11.325 14.798 -7.519 1.00 1.99 H new ATOM 0 HB3 ASP A 3 10.027 15.920 -7.165 1.00 1.99 H new ATOM 50 N PRO A 4 9.339 16.667 -4.427 1.00 1.46 N ATOM 51 CA PRO A 4 8.883 17.538 -3.362 1.00 1.45 C ATOM 52 C PRO A 4 8.202 16.747 -2.253 1.00 1.27 C ATOM 53 O PRO A 4 8.684 16.690 -1.126 1.00 1.34 O ATOM 54 CB PRO A 4 7.902 18.482 -4.060 1.00 1.61 C ATOM 55 CG PRO A 4 7.455 17.778 -5.306 1.00 1.63 C ATOM 56 CD PRO A 4 8.332 16.561 -5.499 1.00 1.52 C ATOM 0 HA PRO A 4 9.700 18.069 -2.873 1.00 1.45 H new ATOM 0 HB2 PRO A 4 7.053 18.707 -3.415 1.00 1.61 H new ATOM 0 HB3 PRO A 4 8.380 19.432 -4.300 1.00 1.61 H new ATOM 0 HG2 PRO A 4 6.409 17.484 -5.222 1.00 1.63 H new ATOM 0 HG3 PRO A 4 7.531 18.442 -6.167 1.00 1.63 H new ATOM 0 HD2 PRO A 4 7.757 15.639 -5.416 1.00 1.52 H new ATOM 0 HD3 PRO A 4 8.798 16.558 -6.484 1.00 1.52 H new ATOM 64 N PHE A 5 7.082 16.133 -2.587 1.00 1.17 N ATOM 65 CA PHE A 5 6.400 15.225 -1.688 1.00 1.11 C ATOM 66 C PHE A 5 5.630 14.220 -2.522 1.00 0.94 C ATOM 67 O PHE A 5 5.264 14.510 -3.662 1.00 1.01 O ATOM 68 CB PHE A 5 5.459 15.978 -0.733 1.00 1.40 C ATOM 69 CG PHE A 5 4.315 16.684 -1.411 1.00 1.63 C ATOM 70 CD1 PHE A 5 4.487 17.952 -1.945 1.00 1.75 C ATOM 71 CD2 PHE A 5 3.073 16.080 -1.518 1.00 2.34 C ATOM 72 CE1 PHE A 5 3.443 18.604 -2.570 1.00 2.39 C ATOM 73 CE2 PHE A 5 2.025 16.726 -2.142 1.00 3.21 C ATOM 74 CZ PHE A 5 2.200 17.984 -2.657 1.00 3.19 C ATOM 0 H PHE A 5 6.621 16.251 -3.489 1.00 1.17 H new ATOM 0 HA PHE A 5 7.134 14.712 -1.066 1.00 1.11 H new ATOM 0 HB2 PHE A 5 5.055 15.271 -0.009 1.00 1.40 H new ATOM 0 HB3 PHE A 5 6.040 16.710 -0.173 1.00 1.40 H new ATOM 0 HD1 PHE A 5 5.450 18.436 -1.871 1.00 1.75 H new ATOM 0 HD2 PHE A 5 2.923 15.092 -1.108 1.00 2.34 H new ATOM 0 HE1 PHE A 5 3.590 19.589 -2.989 1.00 2.39 H new ATOM 0 HE2 PHE A 5 1.065 16.239 -2.225 1.00 3.21 H new ATOM 0 HZ PHE A 5 1.374 18.494 -3.130 1.00 3.19 H new ATOM 84 N VAL A 6 5.419 13.035 -1.990 1.00 0.85 N ATOM 85 CA VAL A 6 4.659 12.024 -2.700 1.00 0.79 C ATOM 86 C VAL A 6 3.315 11.815 -2.024 1.00 0.69 C ATOM 87 O VAL A 6 3.239 11.591 -0.816 1.00 0.77 O ATOM 88 CB VAL A 6 5.443 10.686 -2.840 1.00 0.92 C ATOM 89 CG1 VAL A 6 6.567 10.599 -1.819 1.00 1.44 C ATOM 90 CG2 VAL A 6 4.515 9.480 -2.724 1.00 1.41 C ATOM 0 H VAL A 6 5.760 12.747 -1.073 1.00 0.85 H new ATOM 0 HA VAL A 6 4.488 12.384 -3.714 1.00 0.79 H new ATOM 0 HB VAL A 6 5.886 10.672 -3.836 1.00 0.92 H new ATOM 0 HG11 VAL A 6 7.097 9.654 -1.941 1.00 1.44 H new ATOM 0 HG12 VAL A 6 7.261 11.426 -1.970 1.00 1.44 H new ATOM 0 HG13 VAL A 6 6.150 10.654 -0.813 1.00 1.44 H new ATOM 0 HG21 VAL A 6 5.095 8.563 -2.826 1.00 1.41 H new ATOM 0 HG22 VAL A 6 4.023 9.492 -1.751 1.00 1.41 H new ATOM 0 HG23 VAL A 6 3.763 9.523 -3.511 1.00 1.41 H new ATOM 100 N ARG A 7 2.255 11.931 -2.806 1.00 0.64 N ATOM 101 CA ARG A 7 0.910 11.809 -2.285 1.00 0.56 C ATOM 102 C ARG A 7 0.094 10.850 -3.139 1.00 0.54 C ATOM 103 O ARG A 7 0.147 10.904 -4.368 1.00 0.64 O ATOM 104 CB ARG A 7 0.251 13.188 -2.253 1.00 0.57 C ATOM 105 CG ARG A 7 -1.164 13.191 -1.701 1.00 0.57 C ATOM 106 CD ARG A 7 -1.743 14.595 -1.686 1.00 0.71 C ATOM 107 NE ARG A 7 -1.762 15.197 -3.017 1.00 1.61 N ATOM 108 CZ ARG A 7 -2.880 15.555 -3.645 1.00 2.25 C ATOM 109 NH1 ARG A 7 -4.061 15.336 -3.084 1.00 2.26 N ATOM 110 NH2 ARG A 7 -2.818 16.117 -4.844 1.00 3.37 N ATOM 0 H ARG A 7 2.304 12.110 -3.809 1.00 0.64 H new ATOM 0 HA ARG A 7 0.953 11.408 -1.272 1.00 0.56 H new ATOM 0 HB2 ARG A 7 0.865 13.857 -1.651 1.00 0.57 H new ATOM 0 HB3 ARG A 7 0.235 13.594 -3.265 1.00 0.57 H new ATOM 0 HG2 ARG A 7 -1.795 12.541 -2.307 1.00 0.57 H new ATOM 0 HG3 ARG A 7 -1.164 12.784 -0.690 1.00 0.57 H new ATOM 0 HD2 ARG A 7 -2.757 14.564 -1.288 1.00 0.71 H new ATOM 0 HD3 ARG A 7 -1.156 15.221 -1.014 1.00 0.71 H new ATOM 0 HE ARG A 7 -0.872 15.351 -3.490 1.00 1.61 H new ATOM 0 HH11 ARG A 7 -4.116 14.892 -2.168 1.00 2.26 H new ATOM 0 HH12 ARG A 7 -4.915 15.612 -3.569 1.00 2.26 H new ATOM 0 HH21 ARG A 7 -1.913 16.276 -5.287 1.00 3.37 H new ATOM 0 HH22 ARG A 7 -3.675 16.391 -5.324 1.00 3.37 H new ATOM 124 N HIS A 8 -0.644 9.962 -2.488 1.00 0.47 N ATOM 125 CA HIS A 8 -1.528 9.049 -3.203 1.00 0.46 C ATOM 126 C HIS A 8 -2.968 9.430 -2.942 1.00 0.39 C ATOM 127 O HIS A 8 -3.366 9.623 -1.800 1.00 0.39 O ATOM 128 CB HIS A 8 -1.220 7.576 -2.810 1.00 0.56 C ATOM 129 CG HIS A 8 -2.396 6.654 -2.556 1.00 0.45 C ATOM 130 ND1 HIS A 8 -2.408 5.721 -1.534 1.00 0.46 N ATOM 131 CD2 HIS A 8 -3.567 6.483 -3.216 1.00 0.79 C ATOM 132 CE1 HIS A 8 -3.532 5.029 -1.577 1.00 0.41 C ATOM 133 NE2 HIS A 8 -4.249 5.470 -2.588 1.00 0.76 N ATOM 0 H HIS A 8 -0.650 9.853 -1.474 1.00 0.47 H new ATOM 0 HA HIS A 8 -1.355 9.130 -4.276 1.00 0.46 H new ATOM 0 HB2 HIS A 8 -0.615 7.137 -3.603 1.00 0.56 H new ATOM 0 HB3 HIS A 8 -0.605 7.591 -1.910 1.00 0.56 H new ATOM 0 HD2 HIS A 8 -3.902 7.041 -4.078 1.00 0.79 H new ATOM 0 HE1 HIS A 8 -3.814 4.237 -0.899 1.00 0.41 H new ATOM 0 HE2 HIS A 8 -5.166 5.116 -2.862 1.00 0.76 H new ATOM 142 N SER A 9 -3.747 9.503 -4.006 1.00 0.42 N ATOM 143 CA SER A 9 -5.151 9.810 -3.887 1.00 0.40 C ATOM 144 C SER A 9 -5.982 8.890 -4.762 1.00 0.41 C ATOM 145 O SER A 9 -5.835 8.866 -5.986 1.00 0.53 O ATOM 146 CB SER A 9 -5.410 11.279 -4.236 1.00 0.52 C ATOM 147 OG SER A 9 -4.872 11.609 -5.506 1.00 1.28 O ATOM 0 H SER A 9 -3.425 9.353 -4.962 1.00 0.42 H new ATOM 0 HA SER A 9 -5.451 9.647 -2.852 1.00 0.40 H new ATOM 0 HB2 SER A 9 -6.483 11.472 -4.232 1.00 0.52 H new ATOM 0 HB3 SER A 9 -4.967 11.920 -3.473 1.00 0.52 H new ATOM 0 HG SER A 9 -5.083 10.897 -6.146 1.00 1.28 H new ATOM 153 N VAL A 10 -6.819 8.090 -4.125 1.00 0.35 N ATOM 154 CA VAL A 10 -7.777 7.267 -4.870 1.00 0.36 C ATOM 155 C VAL A 10 -9.194 7.520 -4.391 1.00 0.32 C ATOM 156 O VAL A 10 -9.409 7.960 -3.259 1.00 0.32 O ATOM 157 CB VAL A 10 -7.495 5.741 -4.804 1.00 0.45 C ATOM 158 CG1 VAL A 10 -6.078 5.424 -5.239 1.00 1.27 C ATOM 159 CG2 VAL A 10 -7.788 5.161 -3.434 1.00 1.18 C ATOM 0 H VAL A 10 -6.862 7.988 -3.111 1.00 0.35 H new ATOM 0 HA VAL A 10 -7.658 7.572 -5.910 1.00 0.36 H new ATOM 0 HB VAL A 10 -8.179 5.264 -5.505 1.00 0.45 H new ATOM 0 HG11 VAL A 10 -5.912 4.348 -5.182 1.00 1.27 H new ATOM 0 HG12 VAL A 10 -5.929 5.760 -6.265 1.00 1.27 H new ATOM 0 HG13 VAL A 10 -5.373 5.935 -4.583 1.00 1.27 H new ATOM 0 HG21 VAL A 10 -7.575 4.092 -3.438 1.00 1.18 H new ATOM 0 HG22 VAL A 10 -7.162 5.652 -2.689 1.00 1.18 H new ATOM 0 HG23 VAL A 10 -8.838 5.321 -3.188 1.00 1.18 H new ATOM 169 N THR A 11 -10.147 7.244 -5.262 1.00 0.35 N ATOM 170 CA THR A 11 -11.547 7.400 -4.942 1.00 0.34 C ATOM 171 C THR A 11 -12.210 6.030 -4.826 1.00 0.33 C ATOM 172 O THR A 11 -12.266 5.260 -5.784 1.00 0.43 O ATOM 173 CB THR A 11 -12.266 8.257 -6.003 1.00 0.46 C ATOM 174 OG1 THR A 11 -11.612 9.531 -6.130 1.00 0.57 O ATOM 175 CG2 THR A 11 -13.726 8.469 -5.631 1.00 0.51 C ATOM 0 H THR A 11 -9.969 6.906 -6.208 1.00 0.35 H new ATOM 0 HA THR A 11 -11.626 7.916 -3.985 1.00 0.34 H new ATOM 0 HB THR A 11 -12.223 7.728 -6.955 1.00 0.46 H new ATOM 0 HG1 THR A 11 -12.073 10.069 -6.807 1.00 0.57 H new ATOM 0 HG21 THR A 11 -14.212 9.076 -6.395 1.00 0.51 H new ATOM 0 HG22 THR A 11 -14.228 7.504 -5.562 1.00 0.51 H new ATOM 0 HG23 THR A 11 -13.786 8.979 -4.670 1.00 0.51 H new ATOM 183 N VAL A 12 -12.689 5.737 -3.637 1.00 0.29 N ATOM 184 CA VAL A 12 -13.300 4.460 -3.326 1.00 0.35 C ATOM 185 C VAL A 12 -14.810 4.526 -3.506 1.00 0.32 C ATOM 186 O VAL A 12 -15.444 5.513 -3.130 1.00 0.36 O ATOM 187 CB VAL A 12 -12.917 4.055 -1.891 1.00 0.43 C ATOM 188 CG1 VAL A 12 -13.780 2.924 -1.356 1.00 0.91 C ATOM 189 CG2 VAL A 12 -11.449 3.668 -1.875 1.00 0.81 C ATOM 0 H VAL A 12 -12.666 6.385 -2.849 1.00 0.29 H new ATOM 0 HA VAL A 12 -12.930 3.700 -4.015 1.00 0.35 H new ATOM 0 HB VAL A 12 -13.091 4.906 -1.232 1.00 0.43 H new ATOM 0 HG11 VAL A 12 -13.468 2.677 -0.341 1.00 0.91 H new ATOM 0 HG12 VAL A 12 -14.825 3.235 -1.349 1.00 0.91 H new ATOM 0 HG13 VAL A 12 -13.667 2.047 -1.994 1.00 0.91 H new ATOM 0 HG21 VAL A 12 -11.160 3.378 -0.865 1.00 0.81 H new ATOM 0 HG22 VAL A 12 -11.286 2.831 -2.554 1.00 0.81 H new ATOM 0 HG23 VAL A 12 -10.845 4.517 -2.195 1.00 0.81 H new ATOM 199 N LYS A 13 -15.372 3.467 -4.080 1.00 0.34 N ATOM 200 CA LYS A 13 -16.765 3.476 -4.525 1.00 0.38 C ATOM 201 C LYS A 13 -17.707 2.853 -3.493 1.00 0.31 C ATOM 202 O LYS A 13 -18.889 2.656 -3.781 1.00 0.37 O ATOM 203 CB LYS A 13 -16.925 2.697 -5.840 1.00 0.58 C ATOM 204 CG LYS A 13 -15.653 2.519 -6.660 1.00 0.68 C ATOM 205 CD LYS A 13 -15.099 3.835 -7.179 1.00 0.97 C ATOM 206 CE LYS A 13 -14.003 3.595 -8.206 1.00 0.88 C ATOM 207 NZ LYS A 13 -14.532 2.988 -9.459 1.00 0.98 N ATOM 0 H LYS A 13 -14.884 2.588 -4.249 1.00 0.34 H new ATOM 0 HA LYS A 13 -17.030 4.524 -4.665 1.00 0.38 H new ATOM 0 HB2 LYS A 13 -17.328 1.711 -5.610 1.00 0.58 H new ATOM 0 HB3 LYS A 13 -17.664 3.208 -6.456 1.00 0.58 H new ATOM 0 HG2 LYS A 13 -14.897 2.028 -6.047 1.00 0.68 H new ATOM 0 HG3 LYS A 13 -15.859 1.859 -7.503 1.00 0.68 H new ATOM 0 HD2 LYS A 13 -15.902 4.420 -7.628 1.00 0.97 H new ATOM 0 HD3 LYS A 13 -14.703 4.420 -6.349 1.00 0.97 H new ATOM 0 HE2 LYS A 13 -13.513 4.540 -8.440 1.00 0.88 H new ATOM 0 HE3 LYS A 13 -13.244 2.940 -7.779 1.00 0.88 H new ATOM 0 HZ1 LYS A 13 -13.910 2.210 -9.758 1.00 0.98 H new ATOM 0 HZ2 LYS A 13 -15.490 2.619 -9.289 1.00 0.98 H new ATOM 0 HZ3 LYS A 13 -14.567 3.710 -10.207 1.00 0.98 H new ATOM 221 N ALA A 14 -17.205 2.541 -2.304 1.00 0.29 N ATOM 222 CA ALA A 14 -18.021 1.841 -1.314 1.00 0.30 C ATOM 223 C ALA A 14 -17.533 2.080 0.107 1.00 0.28 C ATOM 224 O ALA A 14 -17.392 1.139 0.892 1.00 0.31 O ATOM 225 CB ALA A 14 -18.056 0.351 -1.622 1.00 0.36 C ATOM 0 H ALA A 14 -16.254 2.756 -2.003 1.00 0.29 H new ATOM 0 HA ALA A 14 -19.031 2.246 -1.378 1.00 0.30 H new ATOM 0 HB1 ALA A 14 -18.667 -0.160 -0.878 1.00 0.36 H new ATOM 0 HB2 ALA A 14 -18.484 0.194 -2.612 1.00 0.36 H new ATOM 0 HB3 ALA A 14 -17.043 -0.050 -1.597 1.00 0.36 H new ATOM 231 N ASP A 15 -17.275 3.341 0.421 1.00 0.28 N ATOM 232 CA ASP A 15 -16.996 3.774 1.793 1.00 0.31 C ATOM 233 C ASP A 15 -15.591 3.386 2.269 1.00 0.28 C ATOM 234 O ASP A 15 -14.914 2.525 1.689 1.00 0.29 O ATOM 235 CB ASP A 15 -18.073 3.231 2.751 1.00 0.39 C ATOM 236 CG ASP A 15 -17.866 3.654 4.191 1.00 0.61 C ATOM 237 OD1 ASP A 15 -17.343 2.844 4.980 1.00 0.91 O ATOM 238 OD2 ASP A 15 -18.232 4.796 4.538 1.00 0.76 O ATOM 0 H ASP A 15 -17.252 4.097 -0.264 1.00 0.28 H new ATOM 0 HA ASP A 15 -17.028 4.864 1.798 1.00 0.31 H new ATOM 0 HB2 ASP A 15 -19.052 3.574 2.417 1.00 0.39 H new ATOM 0 HB3 ASP A 15 -18.081 2.142 2.697 1.00 0.39 H new ATOM 243 N ARG A 16 -15.175 4.045 3.340 1.00 0.28 N ATOM 244 CA ARG A 16 -13.844 3.906 3.907 1.00 0.27 C ATOM 245 C ARG A 16 -13.606 2.479 4.384 1.00 0.28 C ATOM 246 O ARG A 16 -12.467 2.011 4.440 1.00 0.28 O ATOM 247 CB ARG A 16 -13.707 4.899 5.061 1.00 0.29 C ATOM 248 CG ARG A 16 -12.292 5.127 5.533 1.00 0.28 C ATOM 249 CD ARG A 16 -12.161 6.482 6.208 1.00 0.40 C ATOM 250 NE ARG A 16 -13.145 6.691 7.263 1.00 0.93 N ATOM 251 CZ ARG A 16 -13.201 7.790 8.012 1.00 1.32 C ATOM 252 NH1 ARG A 16 -12.318 8.764 7.836 1.00 1.37 N ATOM 253 NH2 ARG A 16 -14.144 7.921 8.932 1.00 1.88 N ATOM 0 H ARG A 16 -15.765 4.704 3.848 1.00 0.28 H new ATOM 0 HA ARG A 16 -13.093 4.121 3.147 1.00 0.27 H new ATOM 0 HB2 ARG A 16 -14.131 5.855 4.752 1.00 0.29 H new ATOM 0 HB3 ARG A 16 -14.303 4.543 5.901 1.00 0.29 H new ATOM 0 HG2 ARG A 16 -12.005 4.339 6.229 1.00 0.28 H new ATOM 0 HG3 ARG A 16 -11.608 5.069 4.687 1.00 0.28 H new ATOM 0 HD2 ARG A 16 -11.160 6.577 6.629 1.00 0.40 H new ATOM 0 HD3 ARG A 16 -12.268 7.267 5.459 1.00 0.40 H new ATOM 0 HE ARG A 16 -13.829 5.954 7.437 1.00 0.93 H new ATOM 0 HH11 ARG A 16 -11.593 8.672 7.125 1.00 1.37 H new ATOM 0 HH12 ARG A 16 -12.364 9.605 8.412 1.00 1.37 H new ATOM 0 HH21 ARG A 16 -14.830 7.179 9.068 1.00 1.88 H new ATOM 0 HH22 ARG A 16 -14.184 8.764 9.504 1.00 1.88 H new ATOM 267 N LYS A 17 -14.696 1.797 4.707 1.00 0.33 N ATOM 268 CA LYS A 17 -14.650 0.404 5.122 1.00 0.39 C ATOM 269 C LYS A 17 -13.997 -0.466 4.048 1.00 0.35 C ATOM 270 O LYS A 17 -13.083 -1.236 4.339 1.00 0.37 O ATOM 271 CB LYS A 17 -16.067 -0.087 5.410 1.00 0.53 C ATOM 272 CG LYS A 17 -16.156 -1.534 5.863 1.00 1.34 C ATOM 273 CD LYS A 17 -17.601 -1.931 6.105 1.00 1.70 C ATOM 274 CE LYS A 17 -18.431 -1.794 4.836 1.00 2.46 C ATOM 275 NZ LYS A 17 -19.886 -1.880 5.114 1.00 3.05 N ATOM 0 H LYS A 17 -15.635 2.194 4.688 1.00 0.33 H new ATOM 0 HA LYS A 17 -14.047 0.328 6.027 1.00 0.39 H new ATOM 0 HB2 LYS A 17 -16.508 0.548 6.178 1.00 0.53 H new ATOM 0 HB3 LYS A 17 -16.670 0.036 4.510 1.00 0.53 H new ATOM 0 HG2 LYS A 17 -15.716 -2.185 5.107 1.00 1.34 H new ATOM 0 HG3 LYS A 17 -15.578 -1.671 6.777 1.00 1.34 H new ATOM 0 HD2 LYS A 17 -17.643 -2.961 6.461 1.00 1.70 H new ATOM 0 HD3 LYS A 17 -18.026 -1.305 6.890 1.00 1.70 H new ATOM 0 HE2 LYS A 17 -18.209 -0.840 4.358 1.00 2.46 H new ATOM 0 HE3 LYS A 17 -18.149 -2.577 4.132 1.00 2.46 H new ATOM 0 HZ1 LYS A 17 -20.416 -1.782 4.224 1.00 3.05 H new ATOM 0 HZ2 LYS A 17 -20.103 -2.800 5.547 1.00 3.05 H new ATOM 0 HZ3 LYS A 17 -20.161 -1.118 5.766 1.00 3.05 H new ATOM 289 N THR A 18 -14.446 -0.326 2.802 1.00 0.35 N ATOM 290 CA THR A 18 -13.917 -1.147 1.722 1.00 0.36 C ATOM 291 C THR A 18 -12.533 -0.673 1.307 1.00 0.33 C ATOM 292 O THR A 18 -11.695 -1.477 0.895 1.00 0.37 O ATOM 293 CB THR A 18 -14.842 -1.162 0.491 1.00 0.41 C ATOM 294 OG1 THR A 18 -15.099 0.175 0.056 1.00 1.11 O ATOM 295 CG2 THR A 18 -16.153 -1.868 0.805 1.00 0.80 C ATOM 0 H THR A 18 -15.165 0.340 2.520 1.00 0.35 H new ATOM 0 HA THR A 18 -13.854 -2.164 2.110 1.00 0.36 H new ATOM 0 HB THR A 18 -14.341 -1.710 -0.307 1.00 0.41 H new ATOM 0 HG1 THR A 18 -15.754 0.593 0.653 1.00 1.11 H new ATOM 0 HG21 THR A 18 -16.789 -1.865 -0.080 1.00 0.80 H new ATOM 0 HG22 THR A 18 -15.950 -2.897 1.103 1.00 0.80 H new ATOM 0 HG23 THR A 18 -16.660 -1.348 1.618 1.00 0.80 H new ATOM 303 N ALA A 19 -12.289 0.631 1.418 1.00 0.29 N ATOM 304 CA ALA A 19 -10.969 1.170 1.119 1.00 0.29 C ATOM 305 C ALA A 19 -9.920 0.568 2.047 1.00 0.28 C ATOM 306 O ALA A 19 -8.868 0.122 1.601 1.00 0.32 O ATOM 307 CB ALA A 19 -10.959 2.688 1.213 1.00 0.31 C ATOM 0 H ALA A 19 -12.979 1.324 1.709 1.00 0.29 H new ATOM 0 HA ALA A 19 -10.721 0.897 0.093 1.00 0.29 H new ATOM 0 HB1 ALA A 19 -9.960 3.060 0.985 1.00 0.31 H new ATOM 0 HB2 ALA A 19 -11.672 3.101 0.500 1.00 0.31 H new ATOM 0 HB3 ALA A 19 -11.237 2.992 2.222 1.00 0.31 H new ATOM 313 N PHE A 20 -10.229 0.535 3.336 1.00 0.25 N ATOM 314 CA PHE A 20 -9.334 -0.049 4.326 1.00 0.26 C ATOM 315 C PHE A 20 -9.217 -1.555 4.123 1.00 0.31 C ATOM 316 O PHE A 20 -8.126 -2.118 4.210 1.00 0.33 O ATOM 317 CB PHE A 20 -9.842 0.260 5.735 1.00 0.28 C ATOM 318 CG PHE A 20 -9.093 -0.441 6.834 1.00 0.30 C ATOM 319 CD1 PHE A 20 -7.918 0.096 7.339 1.00 0.33 C ATOM 320 CD2 PHE A 20 -9.559 -1.637 7.356 1.00 0.34 C ATOM 321 CE1 PHE A 20 -7.223 -0.547 8.345 1.00 0.37 C ATOM 322 CE2 PHE A 20 -8.867 -2.285 8.361 1.00 0.38 C ATOM 323 CZ PHE A 20 -7.720 -1.734 8.877 1.00 0.38 C ATOM 0 H PHE A 20 -11.097 0.907 3.722 1.00 0.25 H new ATOM 0 HA PHE A 20 -8.344 0.390 4.202 1.00 0.26 H new ATOM 0 HB2 PHE A 20 -9.784 1.336 5.901 1.00 0.28 H new ATOM 0 HB3 PHE A 20 -10.895 -0.015 5.797 1.00 0.28 H new ATOM 0 HD1 PHE A 20 -7.542 1.027 6.941 1.00 0.33 H new ATOM 0 HD2 PHE A 20 -10.473 -2.067 6.973 1.00 0.34 H new ATOM 0 HE1 PHE A 20 -6.298 -0.131 8.717 1.00 0.37 H new ATOM 0 HE2 PHE A 20 -9.229 -3.228 8.742 1.00 0.38 H new ATOM 0 HZ PHE A 20 -7.205 -2.220 9.693 1.00 0.38 H new ATOM 333 N LYS A 21 -10.346 -2.200 3.855 1.00 0.35 N ATOM 334 CA LYS A 21 -10.366 -3.632 3.592 1.00 0.42 C ATOM 335 C LYS A 21 -9.429 -3.977 2.438 1.00 0.44 C ATOM 336 O LYS A 21 -8.537 -4.809 2.585 1.00 0.49 O ATOM 337 CB LYS A 21 -11.797 -4.084 3.267 1.00 0.49 C ATOM 338 CG LYS A 21 -11.890 -5.481 2.660 1.00 0.64 C ATOM 339 CD LYS A 21 -11.429 -6.553 3.635 1.00 1.24 C ATOM 340 CE LYS A 21 -11.291 -7.911 2.963 1.00 1.79 C ATOM 341 NZ LYS A 21 -12.583 -8.407 2.417 1.00 2.39 N ATOM 0 H LYS A 21 -11.261 -1.752 3.814 1.00 0.35 H new ATOM 0 HA LYS A 21 -10.022 -4.156 4.483 1.00 0.42 H new ATOM 0 HB2 LYS A 21 -12.391 -4.057 4.181 1.00 0.49 H new ATOM 0 HB3 LYS A 21 -12.243 -3.369 2.576 1.00 0.49 H new ATOM 0 HG2 LYS A 21 -12.919 -5.680 2.362 1.00 0.64 H new ATOM 0 HG3 LYS A 21 -11.282 -5.526 1.757 1.00 0.64 H new ATOM 0 HD2 LYS A 21 -10.471 -6.263 4.067 1.00 1.24 H new ATOM 0 HD3 LYS A 21 -12.141 -6.626 4.457 1.00 1.24 H new ATOM 0 HE2 LYS A 21 -10.561 -7.842 2.156 1.00 1.79 H new ATOM 0 HE3 LYS A 21 -10.903 -8.632 3.683 1.00 1.79 H new ATOM 0 HZ1 LYS A 21 -12.445 -9.349 2.000 1.00 2.39 H new ATOM 0 HZ2 LYS A 21 -13.283 -8.467 3.183 1.00 2.39 H new ATOM 0 HZ3 LYS A 21 -12.925 -7.751 1.686 1.00 2.39 H new ATOM 355 N THR A 22 -9.609 -3.290 1.320 1.00 0.43 N ATOM 356 CA THR A 22 -8.863 -3.570 0.102 1.00 0.48 C ATOM 357 C THR A 22 -7.402 -3.125 0.222 1.00 0.49 C ATOM 358 O THR A 22 -6.530 -3.616 -0.490 1.00 0.68 O ATOM 359 CB THR A 22 -9.540 -2.876 -1.101 1.00 0.48 C ATOM 360 OG1 THR A 22 -10.942 -3.173 -1.089 1.00 0.48 O ATOM 361 CG2 THR A 22 -8.944 -3.323 -2.430 1.00 0.58 C ATOM 0 H THR A 22 -10.276 -2.523 1.231 1.00 0.43 H new ATOM 0 HA THR A 22 -8.866 -4.648 -0.056 1.00 0.48 H new ATOM 0 HB THR A 22 -9.372 -1.803 -1.005 1.00 0.48 H new ATOM 0 HG1 THR A 22 -11.388 -2.619 -0.415 1.00 0.48 H new ATOM 0 HG21 THR A 22 -9.451 -2.809 -3.247 1.00 0.58 H new ATOM 0 HG22 THR A 22 -7.882 -3.080 -2.452 1.00 0.58 H new ATOM 0 HG23 THR A 22 -9.073 -4.399 -2.543 1.00 0.58 H new ATOM 369 N PHE A 23 -7.135 -2.193 1.121 1.00 0.37 N ATOM 370 CA PHE A 23 -5.788 -1.669 1.280 1.00 0.38 C ATOM 371 C PHE A 23 -4.980 -2.491 2.287 1.00 0.38 C ATOM 372 O PHE A 23 -3.778 -2.692 2.108 1.00 0.43 O ATOM 373 CB PHE A 23 -5.846 -0.200 1.717 1.00 0.37 C ATOM 374 CG PHE A 23 -4.524 0.514 1.659 1.00 0.39 C ATOM 375 CD1 PHE A 23 -4.025 0.971 0.451 1.00 0.44 C ATOM 376 CD2 PHE A 23 -3.778 0.723 2.811 1.00 0.40 C ATOM 377 CE1 PHE A 23 -2.809 1.621 0.391 1.00 0.48 C ATOM 378 CE2 PHE A 23 -2.561 1.373 2.756 1.00 0.45 C ATOM 379 CZ PHE A 23 -2.089 1.848 1.559 1.00 0.48 C ATOM 0 H PHE A 23 -7.828 -1.785 1.749 1.00 0.37 H new ATOM 0 HA PHE A 23 -5.284 -1.739 0.316 1.00 0.38 H new ATOM 0 HB2 PHE A 23 -6.559 0.328 1.084 1.00 0.37 H new ATOM 0 HB3 PHE A 23 -6.228 -0.151 2.737 1.00 0.37 H new ATOM 0 HD1 PHE A 23 -4.594 0.817 -0.454 1.00 0.44 H new ATOM 0 HD2 PHE A 23 -4.154 0.373 3.761 1.00 0.40 H new ATOM 0 HE1 PHE A 23 -2.418 1.952 -0.560 1.00 0.48 H new ATOM 0 HE2 PHE A 23 -1.980 1.508 3.657 1.00 0.45 H new ATOM 0 HZ PHE A 23 -1.160 2.397 1.524 1.00 0.48 H new ATOM 389 N LEU A 24 -5.630 -2.964 3.349 1.00 0.35 N ATOM 390 CA LEU A 24 -4.902 -3.634 4.419 1.00 0.37 C ATOM 391 C LEU A 24 -5.349 -5.079 4.640 1.00 0.39 C ATOM 392 O LEU A 24 -4.518 -5.979 4.723 1.00 0.48 O ATOM 393 CB LEU A 24 -5.045 -2.861 5.729 1.00 0.40 C ATOM 394 CG LEU A 24 -3.970 -3.185 6.764 1.00 0.42 C ATOM 395 CD1 LEU A 24 -2.615 -2.725 6.256 1.00 0.50 C ATOM 396 CD2 LEU A 24 -4.284 -2.542 8.105 1.00 0.44 C ATOM 0 H LEU A 24 -6.638 -2.897 3.489 1.00 0.35 H new ATOM 0 HA LEU A 24 -3.859 -3.658 4.104 1.00 0.37 H new ATOM 0 HB2 LEU A 24 -5.016 -1.793 5.513 1.00 0.40 H new ATOM 0 HB3 LEU A 24 -6.024 -3.073 6.159 1.00 0.40 H new ATOM 0 HG LEU A 24 -3.949 -4.264 6.914 1.00 0.42 H new ATOM 0 HD11 LEU A 24 -1.850 -2.958 6.997 1.00 0.50 H new ATOM 0 HD12 LEU A 24 -2.383 -3.237 5.322 1.00 0.50 H new ATOM 0 HD13 LEU A 24 -2.637 -1.649 6.083 1.00 0.50 H new ATOM 0 HD21 LEU A 24 -3.500 -2.791 8.820 1.00 0.44 H new ATOM 0 HD22 LEU A 24 -4.336 -1.460 7.986 1.00 0.44 H new ATOM 0 HD23 LEU A 24 -5.241 -2.913 8.471 1.00 0.44 H new ATOM 408 N GLU A 25 -6.654 -5.311 4.744 1.00 0.40 N ATOM 409 CA GLU A 25 -7.151 -6.628 5.146 1.00 0.46 C ATOM 410 C GLU A 25 -7.022 -7.612 4.001 1.00 0.54 C ATOM 411 O GLU A 25 -6.845 -8.816 4.196 1.00 1.01 O ATOM 412 CB GLU A 25 -8.604 -6.547 5.601 1.00 0.51 C ATOM 413 CG GLU A 25 -8.846 -5.530 6.699 1.00 0.66 C ATOM 414 CD GLU A 25 -10.119 -5.811 7.466 1.00 0.91 C ATOM 415 OE1 GLU A 25 -10.034 -6.244 8.633 1.00 1.24 O ATOM 416 OE2 GLU A 25 -11.211 -5.584 6.901 1.00 1.18 O ATOM 0 H GLU A 25 -7.379 -4.618 4.559 1.00 0.40 H new ATOM 0 HA GLU A 25 -6.546 -6.975 5.984 1.00 0.46 H new ATOM 0 HB2 GLU A 25 -9.230 -6.298 4.744 1.00 0.51 H new ATOM 0 HB3 GLU A 25 -8.920 -7.529 5.952 1.00 0.51 H new ATOM 0 HG2 GLU A 25 -8.001 -5.533 7.387 1.00 0.66 H new ATOM 0 HG3 GLU A 25 -8.899 -4.532 6.263 1.00 0.66 H new ATOM 423 N GLY A 26 -7.099 -7.069 2.811 1.00 0.37 N ATOM 424 CA GLY A 26 -6.933 -7.823 1.614 1.00 0.45 C ATOM 425 C GLY A 26 -5.787 -7.244 0.852 1.00 0.48 C ATOM 426 O GLY A 26 -5.900 -6.192 0.254 1.00 0.83 O ATOM 0 H GLY A 26 -7.281 -6.078 2.655 1.00 0.37 H new ATOM 0 HA2 GLY A 26 -6.743 -8.871 1.848 1.00 0.45 H new ATOM 0 HA3 GLY A 26 -7.843 -7.790 1.015 1.00 0.45 H new ATOM 430 N PHE A 27 -4.658 -7.863 0.980 1.00 0.42 N ATOM 431 CA PHE A 27 -3.473 -7.415 0.276 1.00 0.44 C ATOM 432 C PHE A 27 -3.265 -8.194 -1.035 1.00 0.47 C ATOM 433 O PHE A 27 -3.198 -7.589 -2.105 1.00 0.53 O ATOM 434 CB PHE A 27 -2.247 -7.519 1.189 1.00 0.48 C ATOM 435 CG PHE A 27 -1.025 -6.837 0.647 1.00 0.49 C ATOM 436 CD1 PHE A 27 -1.015 -5.468 0.447 1.00 0.57 C ATOM 437 CD2 PHE A 27 0.111 -7.567 0.338 1.00 0.63 C ATOM 438 CE1 PHE A 27 0.105 -4.837 -0.058 1.00 0.65 C ATOM 439 CE2 PHE A 27 1.235 -6.942 -0.165 1.00 0.74 C ATOM 440 CZ PHE A 27 1.231 -5.577 -0.366 1.00 0.71 C ATOM 0 H PHE A 27 -4.519 -8.686 1.566 1.00 0.42 H new ATOM 0 HA PHE A 27 -3.612 -6.369 0.004 1.00 0.44 H new ATOM 0 HB2 PHE A 27 -2.491 -7.087 2.160 1.00 0.48 H new ATOM 0 HB3 PHE A 27 -2.019 -8.572 1.357 1.00 0.48 H new ATOM 0 HD1 PHE A 27 -1.892 -4.886 0.688 1.00 0.57 H new ATOM 0 HD2 PHE A 27 0.118 -8.636 0.492 1.00 0.63 H new ATOM 0 HE1 PHE A 27 0.101 -3.768 -0.212 1.00 0.65 H new ATOM 0 HE2 PHE A 27 2.116 -7.521 -0.401 1.00 0.74 H new ATOM 0 HZ PHE A 27 2.107 -5.087 -0.764 1.00 0.71 H new ATOM 450 N PRO A 28 -3.173 -9.540 -0.986 1.00 0.49 N ATOM 451 CA PRO A 28 -2.823 -10.358 -2.144 1.00 0.57 C ATOM 452 C PRO A 28 -4.007 -11.082 -2.791 1.00 0.59 C ATOM 453 O PRO A 28 -3.872 -12.229 -3.216 1.00 0.76 O ATOM 454 CB PRO A 28 -1.903 -11.376 -1.482 1.00 0.73 C ATOM 455 CG PRO A 28 -2.509 -11.612 -0.130 1.00 0.74 C ATOM 456 CD PRO A 28 -3.352 -10.400 0.194 1.00 0.52 C ATOM 0 HA PRO A 28 -2.408 -9.768 -2.961 1.00 0.57 H new ATOM 0 HB2 PRO A 28 -1.852 -12.299 -2.060 1.00 0.73 H new ATOM 0 HB3 PRO A 28 -0.885 -10.995 -1.399 1.00 0.73 H new ATOM 0 HG2 PRO A 28 -3.118 -12.516 -0.133 1.00 0.74 H new ATOM 0 HG3 PRO A 28 -1.732 -11.754 0.621 1.00 0.74 H new ATOM 0 HD2 PRO A 28 -4.398 -10.666 0.343 1.00 0.52 H new ATOM 0 HD3 PRO A 28 -3.015 -9.907 1.106 1.00 0.52 H new ATOM 464 N GLU A 29 -5.159 -10.432 -2.885 1.00 0.54 N ATOM 465 CA GLU A 29 -6.337 -11.111 -3.420 1.00 0.67 C ATOM 466 C GLU A 29 -7.022 -10.323 -4.534 1.00 0.69 C ATOM 467 O GLU A 29 -8.009 -10.788 -5.108 1.00 0.85 O ATOM 468 CB GLU A 29 -7.333 -11.392 -2.298 1.00 0.85 C ATOM 469 CG GLU A 29 -7.871 -10.138 -1.633 1.00 0.90 C ATOM 470 CD GLU A 29 -8.877 -10.454 -0.544 1.00 1.18 C ATOM 471 OE1 GLU A 29 -8.483 -10.492 0.640 1.00 1.21 O ATOM 472 OE2 GLU A 29 -10.067 -10.653 -0.861 1.00 1.49 O ATOM 0 H GLU A 29 -5.305 -9.462 -2.607 1.00 0.54 H new ATOM 0 HA GLU A 29 -5.990 -12.048 -3.857 1.00 0.67 H new ATOM 0 HB2 GLU A 29 -8.168 -11.966 -2.700 1.00 0.85 H new ATOM 0 HB3 GLU A 29 -6.852 -12.015 -1.544 1.00 0.85 H new ATOM 0 HG2 GLU A 29 -7.043 -9.571 -1.207 1.00 0.90 H new ATOM 0 HG3 GLU A 29 -8.339 -9.503 -2.385 1.00 0.90 H new ATOM 479 N TRP A 30 -6.521 -9.134 -4.831 1.00 0.64 N ATOM 480 CA TRP A 30 -7.110 -8.310 -5.880 1.00 0.81 C ATOM 481 C TRP A 30 -6.454 -8.598 -7.225 1.00 0.66 C ATOM 482 O TRP A 30 -5.883 -9.664 -7.432 1.00 0.74 O ATOM 483 CB TRP A 30 -6.968 -6.836 -5.524 1.00 1.07 C ATOM 484 CG TRP A 30 -7.256 -6.572 -4.088 1.00 1.18 C ATOM 485 CD1 TRP A 30 -6.433 -5.964 -3.200 1.00 0.50 C ATOM 486 CD2 TRP A 30 -8.436 -6.941 -3.363 1.00 2.35 C ATOM 487 NE1 TRP A 30 -7.029 -5.918 -1.973 1.00 0.80 N ATOM 488 CE2 TRP A 30 -8.257 -6.512 -2.043 1.00 2.05 C ATOM 489 CE3 TRP A 30 -9.625 -7.588 -3.701 1.00 3.66 C ATOM 490 CZ2 TRP A 30 -9.223 -6.703 -1.056 1.00 3.01 C ATOM 491 CZ3 TRP A 30 -10.584 -7.778 -2.724 1.00 4.62 C ATOM 492 CH2 TRP A 30 -10.378 -7.338 -1.414 1.00 4.29 C ATOM 0 H TRP A 30 -5.714 -8.719 -4.366 1.00 0.64 H new ATOM 0 HA TRP A 30 -8.169 -8.554 -5.961 1.00 0.81 H new ATOM 0 HB2 TRP A 30 -5.956 -6.504 -5.756 1.00 1.07 H new ATOM 0 HB3 TRP A 30 -7.646 -6.248 -6.142 1.00 1.07 H new ATOM 0 HD1 TRP A 30 -5.452 -5.574 -3.429 1.00 0.50 H new ATOM 0 HE1 TRP A 30 -6.621 -5.505 -1.135 1.00 0.80 H new ATOM 0 HE3 TRP A 30 -9.793 -7.935 -4.710 1.00 3.66 H new ATOM 0 HZ2 TRP A 30 -9.064 -6.361 -0.044 1.00 3.01 H new ATOM 0 HZ3 TRP A 30 -11.509 -8.275 -2.978 1.00 4.62 H new ATOM 0 HH2 TRP A 30 -11.145 -7.503 -0.672 1.00 4.29 H new ATOM 503 N TRP A 31 -6.517 -7.629 -8.129 1.00 0.55 N ATOM 504 CA TRP A 31 -6.075 -7.842 -9.500 1.00 0.57 C ATOM 505 C TRP A 31 -4.785 -7.076 -9.898 1.00 0.60 C ATOM 506 O TRP A 31 -4.423 -7.109 -11.076 1.00 0.74 O ATOM 507 CB TRP A 31 -7.206 -7.446 -10.449 1.00 0.74 C ATOM 508 CG TRP A 31 -8.565 -7.765 -9.908 1.00 0.62 C ATOM 509 CD1 TRP A 31 -9.514 -6.867 -9.513 1.00 0.69 C ATOM 510 CD2 TRP A 31 -9.117 -9.066 -9.671 1.00 1.24 C ATOM 511 NE1 TRP A 31 -10.624 -7.527 -9.049 1.00 1.10 N ATOM 512 CE2 TRP A 31 -10.408 -8.879 -9.141 1.00 1.54 C ATOM 513 CE3 TRP A 31 -8.650 -10.370 -9.863 1.00 1.77 C ATOM 514 CZ2 TRP A 31 -11.232 -9.946 -8.796 1.00 2.31 C ATOM 515 CZ3 TRP A 31 -9.470 -11.428 -9.520 1.00 2.53 C ATOM 516 CH2 TRP A 31 -10.749 -11.211 -8.994 1.00 2.78 C ATOM 0 H TRP A 31 -6.869 -6.691 -7.938 1.00 0.55 H new ATOM 0 HA TRP A 31 -5.825 -8.900 -9.576 1.00 0.57 H new ATOM 0 HB2 TRP A 31 -7.144 -6.377 -10.652 1.00 0.74 H new ATOM 0 HB3 TRP A 31 -7.070 -7.960 -11.401 1.00 0.74 H new ATOM 0 HD1 TRP A 31 -9.407 -5.793 -9.559 1.00 0.69 H new ATOM 0 HE1 TRP A 31 -11.472 -7.085 -8.694 1.00 1.10 H new ATOM 0 HE3 TRP A 31 -7.666 -10.547 -10.272 1.00 1.77 H new ATOM 0 HZ2 TRP A 31 -12.218 -9.782 -8.387 1.00 2.31 H new ATOM 0 HZ3 TRP A 31 -9.118 -12.439 -9.660 1.00 2.53 H new ATOM 0 HH2 TRP A 31 -11.367 -12.059 -8.739 1.00 2.78 H new ATOM 527 N PRO A 32 -4.053 -6.364 -8.989 1.00 0.71 N ATOM 528 CA PRO A 32 -2.853 -5.646 -9.399 1.00 0.84 C ATOM 529 C PRO A 32 -1.598 -6.522 -9.330 1.00 0.85 C ATOM 530 O PRO A 32 -1.638 -7.707 -9.667 1.00 1.36 O ATOM 531 CB PRO A 32 -2.789 -4.497 -8.394 1.00 1.01 C ATOM 532 CG PRO A 32 -3.448 -5.001 -7.152 1.00 0.92 C ATOM 533 CD PRO A 32 -4.303 -6.179 -7.543 1.00 0.87 C ATOM 0 HA PRO A 32 -2.893 -5.316 -10.437 1.00 0.84 H new ATOM 0 HB2 PRO A 32 -1.757 -4.207 -8.198 1.00 1.01 H new ATOM 0 HB3 PRO A 32 -3.301 -3.614 -8.777 1.00 1.01 H new ATOM 0 HG2 PRO A 32 -2.702 -5.296 -6.414 1.00 0.92 H new ATOM 0 HG3 PRO A 32 -4.056 -4.220 -6.696 1.00 0.92 H new ATOM 0 HD2 PRO A 32 -4.031 -7.070 -6.977 1.00 0.87 H new ATOM 0 HD3 PRO A 32 -5.357 -5.985 -7.345 1.00 0.87 H new ATOM 541 N ASN A 33 -0.489 -5.930 -8.887 1.00 0.53 N ATOM 542 CA ASN A 33 0.790 -6.639 -8.789 1.00 0.57 C ATOM 543 C ASN A 33 0.711 -7.710 -7.707 1.00 0.67 C ATOM 544 O ASN A 33 1.473 -8.679 -7.694 1.00 0.72 O ATOM 545 CB ASN A 33 1.910 -5.653 -8.431 1.00 0.60 C ATOM 546 CG ASN A 33 3.292 -6.284 -8.485 1.00 0.82 C ATOM 547 OD1 ASN A 33 3.582 -7.114 -9.349 1.00 1.51 O ATOM 548 ND2 ASN A 33 4.141 -5.915 -7.541 1.00 0.76 N ATOM 0 H ASN A 33 -0.449 -4.956 -8.588 1.00 0.53 H new ATOM 0 HA ASN A 33 1.004 -7.104 -9.751 1.00 0.57 H new ATOM 0 HB2 ASN A 33 1.875 -4.807 -9.117 1.00 0.60 H new ATOM 0 HB3 ASN A 33 1.735 -5.259 -7.430 1.00 0.60 H new ATOM 0 HD21 ASN A 33 5.076 -6.321 -7.509 1.00 0.76 H new ATOM 0 HD22 ASN A 33 3.861 -5.224 -6.845 1.00 0.76 H new ATOM 555 N ASN A 34 -0.254 -7.526 -6.820 1.00 0.85 N ATOM 556 CA ASN A 34 -0.394 -8.323 -5.607 1.00 1.03 C ATOM 557 C ASN A 34 -0.989 -9.697 -5.901 1.00 1.40 C ATOM 558 O ASN A 34 -1.501 -10.362 -5.006 1.00 1.74 O ATOM 559 CB ASN A 34 -1.302 -7.587 -4.613 1.00 1.07 C ATOM 560 CG ASN A 34 -0.869 -6.155 -4.331 1.00 1.16 C ATOM 561 OD1 ASN A 34 -0.276 -5.481 -5.173 1.00 1.79 O ATOM 562 ND2 ASN A 34 -1.188 -5.671 -3.149 1.00 1.47 N ATOM 0 H ASN A 34 -0.973 -6.810 -6.922 1.00 0.85 H new ATOM 0 HA ASN A 34 0.601 -8.464 -5.184 1.00 1.03 H new ATOM 0 HB2 ASN A 34 -2.320 -7.579 -5.002 1.00 1.07 H new ATOM 0 HB3 ASN A 34 -1.324 -8.142 -3.675 1.00 1.07 H new ATOM 0 HD21 ASN A 34 -0.943 -4.710 -2.908 1.00 1.47 H new ATOM 0 HD22 ASN A 34 -1.680 -6.257 -2.474 1.00 1.47 H new ATOM 569 N PHE A 35 -0.921 -10.123 -7.151 1.00 1.51 N ATOM 570 CA PHE A 35 -1.492 -11.399 -7.541 1.00 1.98 C ATOM 571 C PHE A 35 -0.390 -12.424 -7.812 1.00 2.03 C ATOM 572 O PHE A 35 -0.666 -13.597 -8.077 1.00 2.51 O ATOM 573 CB PHE A 35 -2.378 -11.213 -8.776 1.00 2.40 C ATOM 574 CG PHE A 35 -3.459 -12.246 -8.907 1.00 2.92 C ATOM 575 CD1 PHE A 35 -3.525 -13.055 -10.031 1.00 3.19 C ATOM 576 CD2 PHE A 35 -4.399 -12.418 -7.908 1.00 3.49 C ATOM 577 CE1 PHE A 35 -4.510 -14.015 -10.155 1.00 3.91 C ATOM 578 CE2 PHE A 35 -5.388 -13.375 -8.026 1.00 4.27 C ATOM 579 CZ PHE A 35 -5.477 -14.140 -9.147 1.00 4.45 C ATOM 0 H PHE A 35 -0.478 -9.606 -7.910 1.00 1.51 H new ATOM 0 HA PHE A 35 -2.105 -11.777 -6.723 1.00 1.98 H new ATOM 0 HB2 PHE A 35 -2.836 -10.224 -8.738 1.00 2.40 H new ATOM 0 HB3 PHE A 35 -1.752 -11.240 -9.668 1.00 2.40 H new ATOM 0 HD1 PHE A 35 -2.797 -12.933 -10.819 1.00 3.19 H new ATOM 0 HD2 PHE A 35 -4.360 -11.797 -7.025 1.00 3.49 H new ATOM 0 HE1 PHE A 35 -4.535 -14.663 -11.019 1.00 3.91 H new ATOM 0 HE2 PHE A 35 -6.096 -13.517 -7.222 1.00 4.27 H new ATOM 0 HZ PHE A 35 -6.290 -14.842 -9.261 1.00 4.45 H new ATOM 589 N ARG A 36 0.862 -11.979 -7.731 1.00 1.65 N ATOM 590 CA ARG A 36 1.999 -12.861 -7.980 1.00 1.75 C ATOM 591 C ARG A 36 2.531 -13.442 -6.677 1.00 1.59 C ATOM 592 O ARG A 36 2.601 -12.749 -5.660 1.00 1.48 O ATOM 593 CB ARG A 36 3.121 -12.121 -8.708 1.00 1.73 C ATOM 594 CG ARG A 36 2.746 -11.651 -10.108 1.00 1.84 C ATOM 595 CD ARG A 36 2.126 -12.769 -10.936 1.00 2.25 C ATOM 596 NE ARG A 36 2.954 -13.978 -10.956 1.00 2.72 N ATOM 597 CZ ARG A 36 2.825 -14.957 -11.852 1.00 3.34 C ATOM 598 NH1 ARG A 36 1.940 -14.848 -12.838 1.00 3.59 N ATOM 599 NH2 ARG A 36 3.586 -16.039 -11.763 1.00 4.14 N ATOM 0 H ARG A 36 1.114 -11.019 -7.496 1.00 1.65 H new ATOM 0 HA ARG A 36 1.648 -13.675 -8.614 1.00 1.75 H new ATOM 0 HB2 ARG A 36 3.418 -11.257 -8.113 1.00 1.73 H new ATOM 0 HB3 ARG A 36 3.990 -12.776 -8.776 1.00 1.73 H new ATOM 0 HG2 ARG A 36 2.044 -10.820 -10.036 1.00 1.84 H new ATOM 0 HG3 ARG A 36 3.635 -11.274 -10.615 1.00 1.84 H new ATOM 0 HD2 ARG A 36 1.143 -13.013 -10.533 1.00 2.25 H new ATOM 0 HD3 ARG A 36 1.975 -12.419 -11.957 1.00 2.25 H new ATOM 0 HE ARG A 36 3.674 -14.077 -10.240 1.00 2.72 H new ATOM 0 HH11 ARG A 36 1.357 -14.014 -12.911 1.00 3.59 H new ATOM 0 HH12 ARG A 36 1.844 -15.599 -13.522 1.00 3.59 H new ATOM 0 HH21 ARG A 36 4.269 -16.122 -11.010 1.00 4.14 H new ATOM 0 HH22 ARG A 36 3.489 -16.789 -12.448 1.00 4.14 H new ATOM 613 N THR A 37 2.948 -14.696 -6.729 1.00 1.75 N ATOM 614 CA THR A 37 3.327 -15.429 -5.533 1.00 1.72 C ATOM 615 C THR A 37 4.711 -15.008 -5.039 1.00 1.37 C ATOM 616 O THR A 37 5.613 -14.770 -5.839 1.00 1.37 O ATOM 617 CB THR A 37 3.313 -16.942 -5.809 1.00 2.19 C ATOM 618 OG1 THR A 37 2.167 -17.263 -6.609 1.00 2.53 O ATOM 619 CG2 THR A 37 3.262 -17.735 -4.511 1.00 2.68 C ATOM 0 H THR A 37 3.033 -15.231 -7.593 1.00 1.75 H new ATOM 0 HA THR A 37 2.600 -15.196 -4.755 1.00 1.72 H new ATOM 0 HB THR A 37 4.229 -17.208 -6.337 1.00 2.19 H new ATOM 0 HG1 THR A 37 2.154 -18.226 -6.790 1.00 2.53 H new ATOM 0 HG21 THR A 37 3.253 -18.801 -4.736 1.00 2.68 H new ATOM 0 HG22 THR A 37 4.137 -17.499 -3.906 1.00 2.68 H new ATOM 0 HG23 THR A 37 2.359 -17.473 -3.960 1.00 2.68 H new ATOM 627 N THR A 38 4.822 -14.874 -3.713 1.00 1.24 N ATOM 628 CA THR A 38 6.059 -14.490 -3.008 1.00 1.07 C ATOM 629 C THR A 38 6.633 -13.150 -3.477 1.00 1.09 C ATOM 630 O THR A 38 7.724 -12.753 -3.068 1.00 1.38 O ATOM 631 CB THR A 38 7.153 -15.591 -3.039 1.00 1.16 C ATOM 632 OG1 THR A 38 7.468 -15.999 -4.373 1.00 1.42 O ATOM 633 CG2 THR A 38 6.705 -16.799 -2.235 1.00 1.37 C ATOM 0 H THR A 38 4.037 -15.033 -3.081 1.00 1.24 H new ATOM 0 HA THR A 38 5.748 -14.368 -1.970 1.00 1.07 H new ATOM 0 HB THR A 38 8.052 -15.162 -2.597 1.00 1.16 H new ATOM 0 HG1 THR A 38 7.132 -15.331 -5.007 1.00 1.42 H new ATOM 0 HG21 THR A 38 7.481 -17.564 -2.265 1.00 1.37 H new ATOM 0 HG22 THR A 38 6.527 -16.502 -1.201 1.00 1.37 H new ATOM 0 HG23 THR A 38 5.785 -17.199 -2.661 1.00 1.37 H new ATOM 641 N LYS A 39 5.883 -12.443 -4.306 1.00 0.96 N ATOM 642 CA LYS A 39 6.227 -11.080 -4.670 1.00 1.09 C ATOM 643 C LYS A 39 5.546 -10.122 -3.702 1.00 1.22 C ATOM 644 O LYS A 39 6.191 -9.544 -2.830 1.00 1.97 O ATOM 645 CB LYS A 39 5.806 -10.783 -6.116 1.00 1.15 C ATOM 646 CG LYS A 39 6.063 -9.344 -6.542 1.00 1.49 C ATOM 647 CD LYS A 39 5.899 -9.151 -8.042 1.00 1.66 C ATOM 648 CE LYS A 39 6.876 -10.009 -8.832 1.00 2.28 C ATOM 649 NZ LYS A 39 7.018 -9.540 -10.235 1.00 2.90 N ATOM 0 H LYS A 39 5.029 -12.793 -4.741 1.00 0.96 H new ATOM 0 HA LYS A 39 7.307 -10.949 -4.607 1.00 1.09 H new ATOM 0 HB2 LYS A 39 6.343 -11.453 -6.787 1.00 1.15 H new ATOM 0 HB3 LYS A 39 4.744 -11.003 -6.229 1.00 1.15 H new ATOM 0 HG2 LYS A 39 5.375 -8.683 -6.015 1.00 1.49 H new ATOM 0 HG3 LYS A 39 7.072 -9.055 -6.248 1.00 1.49 H new ATOM 0 HD2 LYS A 39 4.879 -9.402 -8.331 1.00 1.66 H new ATOM 0 HD3 LYS A 39 6.052 -8.101 -8.292 1.00 1.66 H new ATOM 0 HE2 LYS A 39 7.850 -9.993 -8.344 1.00 2.28 H new ATOM 0 HE3 LYS A 39 6.535 -11.044 -8.828 1.00 2.28 H new ATOM 0 HZ1 LYS A 39 7.692 -10.151 -10.739 1.00 2.90 H new ATOM 0 HZ2 LYS A 39 6.093 -9.580 -10.710 1.00 2.90 H new ATOM 0 HZ3 LYS A 39 7.368 -8.561 -10.240 1.00 2.90 H new ATOM 663 N VAL A 40 4.238 -9.981 -3.867 1.00 1.04 N ATOM 664 CA VAL A 40 3.396 -9.236 -2.936 1.00 1.22 C ATOM 665 C VAL A 40 2.019 -9.880 -2.884 1.00 1.42 C ATOM 666 O VAL A 40 1.045 -9.277 -2.442 1.00 1.83 O ATOM 667 CB VAL A 40 3.243 -7.746 -3.327 1.00 1.30 C ATOM 668 CG1 VAL A 40 4.493 -6.953 -2.972 1.00 1.78 C ATOM 669 CG2 VAL A 40 2.934 -7.608 -4.809 1.00 1.40 C ATOM 0 H VAL A 40 3.727 -10.381 -4.654 1.00 1.04 H new ATOM 0 HA VAL A 40 3.883 -9.269 -1.961 1.00 1.22 H new ATOM 0 HB VAL A 40 2.408 -7.337 -2.757 1.00 1.30 H new ATOM 0 HG11 VAL A 40 4.356 -5.910 -3.258 1.00 1.78 H new ATOM 0 HG12 VAL A 40 4.670 -7.014 -1.898 1.00 1.78 H new ATOM 0 HG13 VAL A 40 5.349 -7.366 -3.505 1.00 1.78 H new ATOM 0 HG21 VAL A 40 2.830 -6.553 -5.062 1.00 1.40 H new ATOM 0 HG22 VAL A 40 3.746 -8.043 -5.392 1.00 1.40 H new ATOM 0 HG23 VAL A 40 2.004 -8.129 -5.037 1.00 1.40 H new ATOM 679 N GLY A 41 1.955 -11.127 -3.338 1.00 1.42 N ATOM 680 CA GLY A 41 0.690 -11.818 -3.419 1.00 1.82 C ATOM 681 C GLY A 41 0.777 -13.276 -3.018 1.00 1.67 C ATOM 682 O GLY A 41 0.340 -14.156 -3.754 1.00 2.17 O ATOM 0 H GLY A 41 2.760 -11.669 -3.651 1.00 1.42 H new ATOM 0 HA2 GLY A 41 -0.033 -11.314 -2.777 1.00 1.82 H new ATOM 0 HA3 GLY A 41 0.312 -11.751 -4.439 1.00 1.82 H new ATOM 686 N ALA A 42 1.359 -13.537 -1.858 1.00 1.12 N ATOM 687 CA ALA A 42 1.340 -14.877 -1.285 1.00 1.00 C ATOM 688 C ALA A 42 0.160 -14.979 -0.322 1.00 1.01 C ATOM 689 O ALA A 42 -0.500 -13.974 -0.076 1.00 1.09 O ATOM 690 CB ALA A 42 2.658 -15.169 -0.581 1.00 0.80 C ATOM 0 H ALA A 42 1.849 -12.842 -1.295 1.00 1.12 H new ATOM 0 HA ALA A 42 1.221 -15.621 -2.073 1.00 1.00 H new ATOM 0 HB1 ALA A 42 2.630 -16.173 -0.158 1.00 0.80 H new ATOM 0 HB2 ALA A 42 3.476 -15.100 -1.298 1.00 0.80 H new ATOM 0 HB3 ALA A 42 2.813 -14.443 0.217 1.00 0.80 H new ATOM 696 N PRO A 43 -0.148 -16.176 0.220 1.00 1.05 N ATOM 697 CA PRO A 43 -1.253 -16.354 1.183 1.00 1.15 C ATOM 698 C PRO A 43 -1.031 -15.616 2.513 1.00 1.08 C ATOM 699 O PRO A 43 -0.937 -16.235 3.576 1.00 1.40 O ATOM 700 CB PRO A 43 -1.292 -17.869 1.413 1.00 1.29 C ATOM 701 CG PRO A 43 0.063 -18.352 1.029 1.00 1.48 C ATOM 702 CD PRO A 43 0.512 -17.460 -0.088 1.00 1.11 C ATOM 0 HA PRO A 43 -2.183 -15.939 0.794 1.00 1.15 H new ATOM 0 HB2 PRO A 43 -1.515 -18.105 2.454 1.00 1.29 H new ATOM 0 HB3 PRO A 43 -2.066 -18.340 0.807 1.00 1.29 H new ATOM 0 HG2 PRO A 43 0.751 -18.299 1.873 1.00 1.48 H new ATOM 0 HG3 PRO A 43 0.031 -19.394 0.709 1.00 1.48 H new ATOM 0 HD2 PRO A 43 1.597 -17.360 -0.112 1.00 1.11 H new ATOM 0 HD3 PRO A 43 0.206 -17.847 -1.060 1.00 1.11 H new ATOM 710 N LEU A 44 -0.943 -14.292 2.438 1.00 0.87 N ATOM 711 CA LEU A 44 -0.829 -13.442 3.616 1.00 0.85 C ATOM 712 C LEU A 44 -0.983 -11.971 3.225 1.00 0.81 C ATOM 713 O LEU A 44 -2.096 -11.444 3.198 1.00 1.24 O ATOM 714 CB LEU A 44 0.503 -13.674 4.339 1.00 0.95 C ATOM 715 CG LEU A 44 0.756 -12.767 5.542 1.00 1.26 C ATOM 716 CD1 LEU A 44 -0.384 -12.866 6.548 1.00 1.75 C ATOM 717 CD2 LEU A 44 2.074 -13.131 6.202 1.00 1.66 C ATOM 0 H LEU A 44 -0.949 -13.778 1.557 1.00 0.87 H new ATOM 0 HA LEU A 44 -1.631 -13.706 4.305 1.00 0.85 H new ATOM 0 HB2 LEU A 44 0.542 -14.711 4.672 1.00 0.95 H new ATOM 0 HB3 LEU A 44 1.315 -13.538 3.624 1.00 0.95 H new ATOM 0 HG LEU A 44 0.808 -11.737 5.189 1.00 1.26 H new ATOM 0 HD11 LEU A 44 -0.180 -12.211 7.395 1.00 1.75 H new ATOM 0 HD12 LEU A 44 -1.317 -12.564 6.072 1.00 1.75 H new ATOM 0 HD13 LEU A 44 -0.472 -13.895 6.898 1.00 1.75 H new ATOM 0 HD21 LEU A 44 2.245 -12.478 7.058 1.00 1.66 H new ATOM 0 HD22 LEU A 44 2.039 -14.168 6.537 1.00 1.66 H new ATOM 0 HD23 LEU A 44 2.886 -13.009 5.485 1.00 1.66 H new ATOM 729 N GLY A 45 0.129 -11.311 2.925 1.00 0.61 N ATOM 730 CA GLY A 45 0.075 -9.945 2.450 1.00 0.75 C ATOM 731 C GLY A 45 0.250 -8.930 3.561 1.00 0.61 C ATOM 732 O GLY A 45 1.213 -8.169 3.578 1.00 0.61 O ATOM 0 H GLY A 45 1.069 -11.700 3.003 1.00 0.61 H new ATOM 0 HA2 GLY A 45 0.852 -9.795 1.701 1.00 0.75 H new ATOM 0 HA3 GLY A 45 -0.881 -9.775 1.956 1.00 0.75 H new ATOM 736 N VAL A 46 -0.687 -8.921 4.490 1.00 0.54 N ATOM 737 CA VAL A 46 -0.641 -8.000 5.614 1.00 0.45 C ATOM 738 C VAL A 46 -1.033 -8.721 6.892 1.00 0.47 C ATOM 739 O VAL A 46 -1.964 -9.529 6.896 1.00 0.60 O ATOM 740 CB VAL A 46 -1.577 -6.786 5.415 1.00 0.47 C ATOM 741 CG1 VAL A 46 -1.608 -5.923 6.667 1.00 0.52 C ATOM 742 CG2 VAL A 46 -1.148 -5.954 4.216 1.00 0.49 C ATOM 0 H VAL A 46 -1.494 -9.544 4.490 1.00 0.54 H new ATOM 0 HA VAL A 46 0.382 -7.631 5.683 1.00 0.45 H new ATOM 0 HB VAL A 46 -2.581 -7.167 5.226 1.00 0.47 H new ATOM 0 HG11 VAL A 46 -2.272 -5.074 6.507 1.00 0.52 H new ATOM 0 HG12 VAL A 46 -1.971 -6.514 7.508 1.00 0.52 H new ATOM 0 HG13 VAL A 46 -0.603 -5.562 6.885 1.00 0.52 H new ATOM 0 HG21 VAL A 46 -1.824 -5.107 4.100 1.00 0.49 H new ATOM 0 HG22 VAL A 46 -0.133 -5.589 4.371 1.00 0.49 H new ATOM 0 HG23 VAL A 46 -1.179 -6.569 3.317 1.00 0.49 H new ATOM 752 N ASP A 47 -0.325 -8.421 7.967 1.00 0.41 N ATOM 753 CA ASP A 47 -0.597 -9.028 9.252 1.00 0.49 C ATOM 754 C ASP A 47 -1.287 -8.014 10.142 1.00 0.52 C ATOM 755 O ASP A 47 -0.724 -6.954 10.442 1.00 0.57 O ATOM 756 CB ASP A 47 0.692 -9.513 9.903 1.00 0.58 C ATOM 757 CG ASP A 47 0.429 -10.243 11.199 1.00 0.79 C ATOM 758 OD1 ASP A 47 0.112 -11.445 11.147 1.00 1.11 O ATOM 759 OD2 ASP A 47 0.545 -9.622 12.274 1.00 0.95 O ATOM 0 H ASP A 47 0.448 -7.755 7.971 1.00 0.41 H new ATOM 0 HA ASP A 47 -1.246 -9.892 9.110 1.00 0.49 H new ATOM 0 HB2 ASP A 47 1.220 -10.173 9.215 1.00 0.58 H new ATOM 0 HB3 ASP A 47 1.346 -8.662 10.092 1.00 0.58 H new ATOM 764 N LYS A 48 -2.505 -8.340 10.543 1.00 0.63 N ATOM 765 CA LYS A 48 -3.361 -7.414 11.271 1.00 0.79 C ATOM 766 C LYS A 48 -2.993 -7.353 12.751 1.00 0.85 C ATOM 767 O LYS A 48 -3.082 -6.293 13.373 1.00 1.06 O ATOM 768 CB LYS A 48 -4.829 -7.832 11.133 1.00 1.01 C ATOM 769 CG LYS A 48 -5.299 -8.028 9.695 1.00 1.38 C ATOM 770 CD LYS A 48 -5.187 -6.752 8.869 1.00 1.34 C ATOM 771 CE LYS A 48 -5.968 -5.602 9.488 1.00 2.06 C ATOM 772 NZ LYS A 48 -7.408 -5.925 9.680 1.00 2.81 N ATOM 0 H LYS A 48 -2.929 -9.252 10.374 1.00 0.63 H new ATOM 0 HA LYS A 48 -3.214 -6.424 10.838 1.00 0.79 H new ATOM 0 HB2 LYS A 48 -4.982 -8.761 11.682 1.00 1.01 H new ATOM 0 HB3 LYS A 48 -5.455 -7.076 11.606 1.00 1.01 H new ATOM 0 HG2 LYS A 48 -4.707 -8.814 9.226 1.00 1.38 H new ATOM 0 HG3 LYS A 48 -6.335 -8.367 9.697 1.00 1.38 H new ATOM 0 HD2 LYS A 48 -4.138 -6.470 8.778 1.00 1.34 H new ATOM 0 HD3 LYS A 48 -5.556 -6.939 7.861 1.00 1.34 H new ATOM 0 HE2 LYS A 48 -5.526 -5.344 10.450 1.00 2.06 H new ATOM 0 HE3 LYS A 48 -5.879 -4.722 8.850 1.00 2.06 H new ATOM 0 HZ1 LYS A 48 -7.985 -5.094 9.440 1.00 2.81 H new ATOM 0 HZ2 LYS A 48 -7.671 -6.719 9.062 1.00 2.81 H new ATOM 0 HZ3 LYS A 48 -7.576 -6.188 10.672 1.00 2.81 H new ATOM 786 N LYS A 49 -2.588 -8.488 13.312 1.00 0.80 N ATOM 787 CA LYS A 49 -2.337 -8.578 14.749 1.00 0.97 C ATOM 788 C LYS A 49 -1.010 -7.925 15.133 1.00 1.14 C ATOM 789 O LYS A 49 -0.911 -7.277 16.173 1.00 1.32 O ATOM 790 CB LYS A 49 -2.370 -10.037 15.223 1.00 1.08 C ATOM 791 CG LYS A 49 -1.391 -10.952 14.501 1.00 1.35 C ATOM 792 CD LYS A 49 -1.305 -12.332 15.147 1.00 1.66 C ATOM 793 CE LYS A 49 -2.503 -13.219 14.816 1.00 2.40 C ATOM 794 NZ LYS A 49 -3.769 -12.733 15.427 1.00 3.17 N ATOM 0 H LYS A 49 -2.427 -9.354 12.798 1.00 0.80 H new ATOM 0 HA LYS A 49 -3.136 -8.031 15.250 1.00 0.97 H new ATOM 0 HB2 LYS A 49 -2.155 -10.065 16.291 1.00 1.08 H new ATOM 0 HB3 LYS A 49 -3.379 -10.427 15.091 1.00 1.08 H new ATOM 0 HG2 LYS A 49 -1.697 -11.059 13.460 1.00 1.35 H new ATOM 0 HG3 LYS A 49 -0.403 -10.493 14.497 1.00 1.35 H new ATOM 0 HD2 LYS A 49 -0.391 -12.826 14.816 1.00 1.66 H new ATOM 0 HD3 LYS A 49 -1.232 -12.217 16.228 1.00 1.66 H new ATOM 0 HE2 LYS A 49 -2.624 -13.269 13.734 1.00 2.40 H new ATOM 0 HE3 LYS A 49 -2.304 -14.233 15.162 1.00 2.40 H new ATOM 0 HZ1 LYS A 49 -4.335 -13.545 15.746 1.00 3.17 H new ATOM 0 HZ2 LYS A 49 -3.550 -12.123 16.240 1.00 3.17 H new ATOM 0 HZ3 LYS A 49 -4.309 -12.190 14.723 1.00 3.17 H new ATOM 808 N GLY A 50 0.005 -8.099 14.301 1.00 1.22 N ATOM 809 CA GLY A 50 1.295 -7.504 14.573 1.00 1.53 C ATOM 810 C GLY A 50 1.444 -6.146 13.924 1.00 1.14 C ATOM 811 O GLY A 50 2.071 -5.247 14.485 1.00 1.29 O ATOM 0 H GLY A 50 -0.043 -8.643 13.440 1.00 1.22 H new ATOM 0 HA2 GLY A 50 1.429 -7.407 15.650 1.00 1.53 H new ATOM 0 HA3 GLY A 50 2.082 -8.166 14.212 1.00 1.53 H new ATOM 815 N GLY A 51 0.880 -5.998 12.732 1.00 0.77 N ATOM 816 CA GLY A 51 0.930 -4.726 12.045 1.00 0.65 C ATOM 817 C GLY A 51 2.105 -4.635 11.099 1.00 0.56 C ATOM 818 O GLY A 51 3.018 -3.840 11.313 1.00 0.60 O ATOM 0 H GLY A 51 0.389 -6.738 12.230 1.00 0.77 H new ATOM 0 HA2 GLY A 51 0.005 -4.579 11.488 1.00 0.65 H new ATOM 0 HA3 GLY A 51 0.992 -3.921 12.778 1.00 0.65 H new ATOM 822 N ARG A 52 2.097 -5.457 10.056 1.00 0.51 N ATOM 823 CA ARG A 52 3.167 -5.413 9.067 1.00 0.53 C ATOM 824 C ARG A 52 2.734 -6.037 7.744 1.00 0.50 C ATOM 825 O ARG A 52 1.919 -6.956 7.720 1.00 0.60 O ATOM 826 CB ARG A 52 4.406 -6.117 9.622 1.00 0.68 C ATOM 827 CG ARG A 52 4.191 -7.586 9.927 1.00 1.04 C ATOM 828 CD ARG A 52 5.203 -8.088 10.938 1.00 1.42 C ATOM 829 NE ARG A 52 5.075 -9.522 11.177 1.00 2.14 N ATOM 830 CZ ARG A 52 4.844 -10.062 12.373 1.00 2.80 C ATOM 831 NH1 ARG A 52 4.688 -9.284 13.438 1.00 2.98 N ATOM 832 NH2 ARG A 52 4.760 -11.380 12.495 1.00 3.72 N ATOM 0 H ARG A 52 1.373 -6.152 9.874 1.00 0.51 H new ATOM 0 HA ARG A 52 3.408 -4.369 8.865 1.00 0.53 H new ATOM 0 HB2 ARG A 52 5.220 -6.020 8.903 1.00 0.68 H new ATOM 0 HB3 ARG A 52 4.723 -5.609 10.533 1.00 0.68 H new ATOM 0 HG2 ARG A 52 3.182 -7.737 10.312 1.00 1.04 H new ATOM 0 HG3 ARG A 52 4.272 -8.167 9.008 1.00 1.04 H new ATOM 0 HD2 ARG A 52 6.210 -7.869 10.582 1.00 1.42 H new ATOM 0 HD3 ARG A 52 5.073 -7.551 11.878 1.00 1.42 H new ATOM 0 HE ARG A 52 5.168 -10.150 10.379 1.00 2.14 H new ATOM 0 HH11 ARG A 52 4.745 -8.270 13.342 1.00 2.98 H new ATOM 0 HH12 ARG A 52 4.511 -9.700 14.352 1.00 2.98 H new ATOM 0 HH21 ARG A 52 4.872 -11.976 11.675 1.00 3.72 H new ATOM 0 HH22 ARG A 52 4.583 -11.797 13.409 1.00 3.72 H new ATOM 846 N TRP A 53 3.273 -5.519 6.645 1.00 0.52 N ATOM 847 CA TRP A 53 2.955 -6.035 5.314 1.00 0.53 C ATOM 848 C TRP A 53 4.003 -7.047 4.879 1.00 0.57 C ATOM 849 O TRP A 53 5.122 -6.664 4.564 1.00 0.73 O ATOM 850 CB TRP A 53 2.937 -4.912 4.265 1.00 0.65 C ATOM 851 CG TRP A 53 1.932 -3.824 4.488 1.00 0.55 C ATOM 852 CD1 TRP A 53 1.312 -3.491 5.653 1.00 0.53 C ATOM 853 CD2 TRP A 53 1.449 -2.905 3.501 1.00 0.73 C ATOM 854 NE1 TRP A 53 0.469 -2.427 5.453 1.00 0.68 N ATOM 855 CE2 TRP A 53 0.533 -2.050 4.139 1.00 0.82 C ATOM 856 CE3 TRP A 53 1.702 -2.725 2.139 1.00 0.95 C ATOM 857 CZ2 TRP A 53 -0.130 -1.029 3.462 1.00 1.11 C ATOM 858 CZ3 TRP A 53 1.044 -1.711 1.468 1.00 1.20 C ATOM 859 CH2 TRP A 53 0.137 -0.876 2.131 1.00 1.28 C ATOM 0 H TRP A 53 3.933 -4.741 6.648 1.00 0.52 H new ATOM 0 HA TRP A 53 1.969 -6.495 5.379 1.00 0.53 H new ATOM 0 HB2 TRP A 53 3.929 -4.461 4.226 1.00 0.65 H new ATOM 0 HB3 TRP A 53 2.751 -5.357 3.288 1.00 0.65 H new ATOM 0 HD1 TRP A 53 1.462 -3.992 6.598 1.00 0.53 H new ATOM 0 HE1 TRP A 53 -0.111 -1.988 6.168 1.00 0.68 H new ATOM 0 HE3 TRP A 53 2.399 -3.366 1.620 1.00 0.95 H new ATOM 0 HZ2 TRP A 53 -0.829 -0.382 3.971 1.00 1.11 H new ATOM 0 HZ3 TRP A 53 1.233 -1.561 0.415 1.00 1.20 H new ATOM 0 HH2 TRP A 53 -0.362 -0.094 1.578 1.00 1.28 H new ATOM 870 N TYR A 54 3.652 -8.316 4.840 1.00 0.49 N ATOM 871 CA TYR A 54 4.578 -9.330 4.364 1.00 0.58 C ATOM 872 C TYR A 54 3.822 -10.566 3.921 1.00 0.49 C ATOM 873 O TYR A 54 2.657 -10.756 4.271 1.00 0.52 O ATOM 874 CB TYR A 54 5.623 -9.688 5.432 1.00 0.75 C ATOM 875 CG TYR A 54 5.099 -10.480 6.616 1.00 0.58 C ATOM 876 CD1 TYR A 54 5.643 -11.711 6.960 1.00 0.73 C ATOM 877 CD2 TYR A 54 4.034 -10.001 7.372 1.00 0.61 C ATOM 878 CE1 TYR A 54 5.140 -12.440 8.019 1.00 1.06 C ATOM 879 CE2 TYR A 54 3.531 -10.724 8.437 1.00 0.95 C ATOM 880 CZ TYR A 54 4.189 -11.917 8.816 1.00 1.20 C ATOM 881 OH TYR A 54 3.579 -12.675 9.804 1.00 1.66 O ATOM 0 H TYR A 54 2.740 -8.671 5.129 1.00 0.49 H new ATOM 0 HA TYR A 54 5.113 -8.918 3.508 1.00 0.58 H new ATOM 0 HB2 TYR A 54 6.421 -10.260 4.958 1.00 0.75 H new ATOM 0 HB3 TYR A 54 6.070 -8.765 5.803 1.00 0.75 H new ATOM 0 HD1 TYR A 54 6.472 -12.104 6.390 1.00 0.73 H new ATOM 0 HD2 TYR A 54 3.593 -9.047 7.122 1.00 0.61 H new ATOM 0 HE1 TYR A 54 5.512 -13.436 8.209 1.00 1.06 H new ATOM 0 HE2 TYR A 54 2.654 -10.385 8.969 1.00 0.95 H new ATOM 0 HH TYR A 54 2.919 -12.126 10.277 1.00 1.66 H new ATOM 891 N GLU A 55 4.485 -11.404 3.150 1.00 0.52 N ATOM 892 CA GLU A 55 3.870 -12.612 2.647 1.00 0.56 C ATOM 893 C GLU A 55 4.686 -13.806 3.092 1.00 0.62 C ATOM 894 O GLU A 55 5.829 -13.652 3.528 1.00 0.81 O ATOM 895 CB GLU A 55 3.776 -12.600 1.114 1.00 0.73 C ATOM 896 CG GLU A 55 2.948 -11.468 0.525 1.00 0.81 C ATOM 897 CD GLU A 55 3.659 -10.133 0.574 1.00 1.51 C ATOM 898 OE1 GLU A 55 4.789 -10.036 0.051 1.00 1.94 O ATOM 899 OE2 GLU A 55 3.095 -9.181 1.132 1.00 2.12 O ATOM 0 H GLU A 55 5.453 -11.268 2.858 1.00 0.52 H new ATOM 0 HA GLU A 55 2.858 -12.673 3.046 1.00 0.56 H new ATOM 0 HB2 GLU A 55 4.785 -12.542 0.705 1.00 0.73 H new ATOM 0 HB3 GLU A 55 3.352 -13.549 0.784 1.00 0.73 H new ATOM 0 HG2 GLU A 55 2.701 -11.705 -0.510 1.00 0.81 H new ATOM 0 HG3 GLU A 55 2.006 -11.393 1.068 1.00 0.81 H new ATOM 906 N ILE A 56 4.121 -14.991 2.972 1.00 0.63 N ATOM 907 CA ILE A 56 4.860 -16.193 3.292 1.00 0.68 C ATOM 908 C ILE A 56 5.809 -16.507 2.149 1.00 0.70 C ATOM 909 O ILE A 56 5.395 -16.980 1.087 1.00 0.80 O ATOM 910 CB ILE A 56 3.929 -17.396 3.549 1.00 0.83 C ATOM 911 CG1 ILE A 56 2.962 -17.084 4.698 1.00 0.90 C ATOM 912 CG2 ILE A 56 4.743 -18.645 3.858 1.00 0.92 C ATOM 913 CD1 ILE A 56 3.655 -16.692 5.988 1.00 0.90 C ATOM 0 H ILE A 56 3.163 -15.146 2.659 1.00 0.63 H new ATOM 0 HA ILE A 56 5.417 -16.016 4.212 1.00 0.68 H new ATOM 0 HB ILE A 56 3.346 -17.583 2.647 1.00 0.83 H new ATOM 0 HG12 ILE A 56 2.298 -16.276 4.393 1.00 0.90 H new ATOM 0 HG13 ILE A 56 2.337 -17.958 4.883 1.00 0.90 H new ATOM 0 HG21 ILE A 56 4.070 -19.483 4.037 1.00 0.92 H new ATOM 0 HG22 ILE A 56 5.392 -18.875 3.013 1.00 0.92 H new ATOM 0 HG23 ILE A 56 5.351 -18.473 4.746 1.00 0.92 H new ATOM 0 HD11 ILE A 56 2.908 -16.486 6.754 1.00 0.90 H new ATOM 0 HD12 ILE A 56 4.298 -17.508 6.318 1.00 0.90 H new ATOM 0 HD13 ILE A 56 4.258 -15.800 5.820 1.00 0.90 H new ATOM 925 N ASP A 57 7.076 -16.189 2.358 1.00 0.65 N ATOM 926 CA ASP A 57 8.086 -16.387 1.337 1.00 0.72 C ATOM 927 C ASP A 57 8.473 -17.851 1.243 1.00 0.76 C ATOM 928 O ASP A 57 8.549 -18.554 2.255 1.00 0.96 O ATOM 929 CB ASP A 57 9.320 -15.539 1.627 1.00 0.84 C ATOM 930 CG ASP A 57 10.316 -15.574 0.487 1.00 1.35 C ATOM 931 OD1 ASP A 57 10.304 -14.644 -0.338 1.00 1.71 O ATOM 932 OD2 ASP A 57 11.104 -16.540 0.414 1.00 1.97 O ATOM 0 H ASP A 57 7.428 -15.792 3.229 1.00 0.65 H new ATOM 0 HA ASP A 57 7.664 -16.074 0.382 1.00 0.72 H new ATOM 0 HB2 ASP A 57 9.016 -14.508 1.811 1.00 0.84 H new ATOM 0 HB3 ASP A 57 9.800 -15.897 2.538 1.00 0.84 H new ATOM 937 N GLU A 58 8.741 -18.283 0.025 1.00 0.87 N ATOM 938 CA GLU A 58 9.010 -19.679 -0.280 1.00 1.01 C ATOM 939 C GLU A 58 10.282 -20.176 0.401 1.00 1.04 C ATOM 940 O GLU A 58 10.405 -21.361 0.716 1.00 1.17 O ATOM 941 CB GLU A 58 9.108 -19.850 -1.801 1.00 1.35 C ATOM 942 CG GLU A 58 10.118 -18.916 -2.459 1.00 1.54 C ATOM 943 CD GLU A 58 9.990 -18.882 -3.968 1.00 2.04 C ATOM 944 OE1 GLU A 58 9.302 -17.984 -4.494 1.00 2.43 O ATOM 945 OE2 GLU A 58 10.568 -19.764 -4.639 1.00 2.21 O ATOM 0 H GLU A 58 8.779 -17.670 -0.789 1.00 0.87 H new ATOM 0 HA GLU A 58 8.189 -20.282 0.107 1.00 1.01 H new ATOM 0 HB2 GLU A 58 9.381 -20.881 -2.025 1.00 1.35 H new ATOM 0 HB3 GLU A 58 8.126 -19.677 -2.241 1.00 1.35 H new ATOM 0 HG2 GLU A 58 9.985 -17.909 -2.065 1.00 1.54 H new ATOM 0 HG3 GLU A 58 11.126 -19.232 -2.192 1.00 1.54 H new ATOM 952 N GLN A 59 11.211 -19.269 0.650 1.00 1.10 N ATOM 953 CA GLN A 59 12.480 -19.624 1.261 1.00 1.36 C ATOM 954 C GLN A 59 12.317 -19.904 2.762 1.00 1.39 C ATOM 955 O GLN A 59 13.128 -20.616 3.360 1.00 1.70 O ATOM 956 CB GLN A 59 13.516 -18.520 0.969 1.00 1.60 C ATOM 957 CG GLN A 59 14.362 -18.078 2.154 1.00 1.69 C ATOM 958 CD GLN A 59 13.630 -17.138 3.087 1.00 1.62 C ATOM 959 OE1 GLN A 59 13.906 -17.101 4.282 1.00 2.39 O ATOM 960 NE2 GLN A 59 12.669 -16.399 2.556 1.00 1.40 N ATOM 0 H GLN A 59 11.109 -18.277 0.437 1.00 1.10 H new ATOM 0 HA GLN A 59 12.847 -20.552 0.823 1.00 1.36 H new ATOM 0 HB2 GLN A 59 14.183 -18.872 0.182 1.00 1.60 H new ATOM 0 HB3 GLN A 59 12.991 -17.649 0.576 1.00 1.60 H new ATOM 0 HG2 GLN A 59 14.683 -18.958 2.712 1.00 1.69 H new ATOM 0 HG3 GLN A 59 15.263 -17.587 1.787 1.00 1.69 H new ATOM 0 HE21 GLN A 59 12.472 -16.460 1.557 1.00 1.40 H new ATOM 0 HE22 GLN A 59 12.126 -15.768 3.146 1.00 1.40 H new ATOM 969 N GLY A 60 11.262 -19.361 3.368 1.00 1.19 N ATOM 970 CA GLY A 60 11.017 -19.625 4.778 1.00 1.39 C ATOM 971 C GLY A 60 10.420 -18.447 5.531 1.00 1.45 C ATOM 972 O GLY A 60 10.924 -18.071 6.590 1.00 2.29 O ATOM 0 H GLY A 60 10.581 -18.751 2.916 1.00 1.19 H new ATOM 0 HA2 GLY A 60 10.345 -20.478 4.866 1.00 1.39 H new ATOM 0 HA3 GLY A 60 11.956 -19.909 5.253 1.00 1.39 H new ATOM 976 N GLU A 61 9.349 -17.868 4.981 1.00 1.11 N ATOM 977 CA GLU A 61 8.575 -16.809 5.655 1.00 1.15 C ATOM 978 C GLU A 61 9.381 -15.543 5.913 1.00 1.26 C ATOM 979 O GLU A 61 8.962 -14.680 6.686 1.00 1.72 O ATOM 980 CB GLU A 61 7.999 -17.313 6.983 1.00 1.33 C ATOM 981 CG GLU A 61 6.990 -18.437 6.838 1.00 1.38 C ATOM 982 CD GLU A 61 6.470 -18.908 8.179 1.00 1.69 C ATOM 983 OE1 GLU A 61 7.031 -19.877 8.733 1.00 1.77 O ATOM 984 OE2 GLU A 61 5.504 -18.306 8.693 1.00 2.31 O ATOM 0 H GLU A 61 8.991 -18.116 4.059 1.00 1.11 H new ATOM 0 HA GLU A 61 7.769 -16.553 4.967 1.00 1.15 H new ATOM 0 HB2 GLU A 61 8.819 -17.655 7.615 1.00 1.33 H new ATOM 0 HB3 GLU A 61 7.525 -16.479 7.500 1.00 1.33 H new ATOM 0 HG2 GLU A 61 6.155 -18.098 6.224 1.00 1.38 H new ATOM 0 HG3 GLU A 61 7.452 -19.274 6.314 1.00 1.38 H new ATOM 991 N GLU A 62 10.502 -15.402 5.246 1.00 1.06 N ATOM 992 CA GLU A 62 11.360 -14.261 5.478 1.00 1.20 C ATOM 993 C GLU A 62 11.248 -13.274 4.332 1.00 1.00 C ATOM 994 O GLU A 62 12.036 -13.290 3.387 1.00 1.08 O ATOM 995 CB GLU A 62 12.788 -14.735 5.689 1.00 1.54 C ATOM 996 CG GLU A 62 13.791 -13.624 5.971 1.00 1.98 C ATOM 997 CD GLU A 62 13.384 -12.722 7.119 1.00 2.16 C ATOM 998 OE1 GLU A 62 12.761 -11.673 6.861 1.00 2.61 O ATOM 999 OE2 GLU A 62 13.709 -13.045 8.281 1.00 2.56 O ATOM 0 H GLU A 62 10.841 -16.058 4.542 1.00 1.06 H new ATOM 0 HA GLU A 62 11.043 -13.738 6.381 1.00 1.20 H new ATOM 0 HB2 GLU A 62 12.804 -15.440 6.520 1.00 1.54 H new ATOM 0 HB3 GLU A 62 13.110 -15.281 4.802 1.00 1.54 H new ATOM 0 HG2 GLU A 62 14.761 -14.068 6.194 1.00 1.98 H new ATOM 0 HG3 GLU A 62 13.916 -13.021 5.072 1.00 1.98 H new ATOM 1006 N HIS A 63 10.218 -12.454 4.399 1.00 0.90 N ATOM 1007 CA HIS A 63 9.968 -11.455 3.389 1.00 0.85 C ATOM 1008 C HIS A 63 10.196 -10.057 3.946 1.00 0.92 C ATOM 1009 O HIS A 63 9.998 -9.822 5.141 1.00 1.22 O ATOM 1010 CB HIS A 63 8.526 -11.586 2.915 1.00 0.96 C ATOM 1011 CG HIS A 63 8.367 -11.382 1.452 1.00 1.85 C ATOM 1012 ND1 HIS A 63 7.841 -10.241 0.887 1.00 2.82 N ATOM 1013 CD2 HIS A 63 8.674 -12.203 0.435 1.00 2.22 C ATOM 1014 CE1 HIS A 63 7.835 -10.376 -0.429 1.00 3.72 C ATOM 1015 NE2 HIS A 63 8.336 -11.560 -0.727 1.00 3.37 N ATOM 0 H HIS A 63 9.534 -12.464 5.156 1.00 0.90 H new ATOM 0 HA HIS A 63 10.655 -11.609 2.557 1.00 0.85 H new ATOM 0 HB2 HIS A 63 8.152 -12.575 3.179 1.00 0.96 H new ATOM 0 HB3 HIS A 63 7.909 -10.860 3.445 1.00 0.96 H new ATOM 0 HD2 HIS A 63 9.108 -13.189 0.518 1.00 2.22 H new ATOM 0 HE1 HIS A 63 7.481 -9.643 -1.138 1.00 3.72 H new ATOM 0 HE2 HIS A 63 8.453 -11.935 -1.668 1.00 3.37 H new ATOM 1024 N THR A 64 10.635 -9.149 3.083 1.00 0.97 N ATOM 1025 CA THR A 64 10.646 -7.729 3.405 1.00 1.01 C ATOM 1026 C THR A 64 9.234 -7.317 3.826 1.00 1.50 C ATOM 1027 O THR A 64 8.251 -7.794 3.242 1.00 2.27 O ATOM 1028 CB THR A 64 11.143 -6.895 2.191 1.00 1.03 C ATOM 1029 OG1 THR A 64 11.008 -5.492 2.425 1.00 1.77 O ATOM 1030 CG2 THR A 64 10.402 -7.276 0.915 1.00 1.44 C ATOM 0 H THR A 64 10.989 -9.372 2.153 1.00 0.97 H new ATOM 0 HA THR A 64 11.336 -7.538 4.227 1.00 1.01 H new ATOM 0 HB THR A 64 12.201 -7.125 2.065 1.00 1.03 H new ATOM 0 HG1 THR A 64 11.273 -5.287 3.346 1.00 1.77 H new ATOM 0 HG21 THR A 64 10.773 -6.675 0.085 1.00 1.44 H new ATOM 0 HG22 THR A 64 10.567 -8.332 0.700 1.00 1.44 H new ATOM 0 HG23 THR A 64 9.335 -7.095 1.046 1.00 1.44 H new ATOM 1038 N PHE A 65 9.116 -6.458 4.832 1.00 1.66 N ATOM 1039 CA PHE A 65 7.814 -6.195 5.427 1.00 2.32 C ATOM 1040 C PHE A 65 7.516 -4.705 5.536 1.00 1.96 C ATOM 1041 O PHE A 65 8.401 -3.891 5.778 1.00 2.43 O ATOM 1042 CB PHE A 65 7.694 -6.867 6.805 1.00 3.26 C ATOM 1043 CG PHE A 65 8.621 -6.320 7.858 1.00 4.27 C ATOM 1044 CD1 PHE A 65 9.934 -6.760 7.937 1.00 4.99 C ATOM 1045 CD2 PHE A 65 8.185 -5.362 8.758 1.00 4.69 C ATOM 1046 CE1 PHE A 65 10.792 -6.255 8.893 1.00 6.10 C ATOM 1047 CE2 PHE A 65 9.038 -4.854 9.718 1.00 5.77 C ATOM 1048 CZ PHE A 65 10.319 -5.320 9.817 1.00 6.48 C ATOM 0 H PHE A 65 9.892 -5.941 5.246 1.00 1.66 H new ATOM 0 HA PHE A 65 7.070 -6.627 4.757 1.00 2.32 H new ATOM 0 HB2 PHE A 65 6.667 -6.763 7.156 1.00 3.26 H new ATOM 0 HB3 PHE A 65 7.886 -7.934 6.691 1.00 3.26 H new ATOM 0 HD1 PHE A 65 10.289 -7.507 7.242 1.00 4.99 H new ATOM 0 HD2 PHE A 65 7.166 -5.008 8.709 1.00 4.69 H new ATOM 0 HE1 PHE A 65 11.821 -6.580 8.926 1.00 6.10 H new ATOM 0 HE2 PHE A 65 8.691 -4.086 10.393 1.00 5.77 H new ATOM 0 HZ PHE A 65 10.964 -4.966 10.608 1.00 6.48 H new ATOM 1058 N GLY A 66 6.248 -4.366 5.336 1.00 1.23 N ATOM 1059 CA GLY A 66 5.803 -3.002 5.467 1.00 0.93 C ATOM 1060 C GLY A 66 5.619 -2.643 6.918 1.00 0.80 C ATOM 1061 O GLY A 66 4.932 -3.351 7.654 1.00 0.96 O ATOM 0 H GLY A 66 5.514 -5.027 5.082 1.00 1.23 H new ATOM 0 HA2 GLY A 66 6.530 -2.331 5.010 1.00 0.93 H new ATOM 0 HA3 GLY A 66 4.863 -2.867 4.931 1.00 0.93 H new ATOM 1065 N LEU A 67 6.222 -1.550 7.323 1.00 0.64 N ATOM 1066 CA LEU A 67 6.310 -1.199 8.725 1.00 0.65 C ATOM 1067 C LEU A 67 5.077 -0.441 9.186 1.00 0.51 C ATOM 1068 O LEU A 67 5.046 0.784 9.117 1.00 0.54 O ATOM 1069 CB LEU A 67 7.538 -0.325 8.971 1.00 0.76 C ATOM 1070 CG LEU A 67 8.891 -0.908 8.557 1.00 0.64 C ATOM 1071 CD1 LEU A 67 9.088 -0.850 7.044 1.00 1.17 C ATOM 1072 CD2 LEU A 67 9.995 -0.150 9.261 1.00 1.14 C ATOM 0 H LEU A 67 6.665 -0.880 6.694 1.00 0.64 H new ATOM 0 HA LEU A 67 6.387 -2.128 9.290 1.00 0.65 H new ATOM 0 HB2 LEU A 67 7.397 0.617 8.441 1.00 0.76 H new ATOM 0 HB3 LEU A 67 7.580 -0.089 10.034 1.00 0.76 H new ATOM 0 HG LEU A 67 8.920 -1.958 8.848 1.00 0.64 H new ATOM 0 HD11 LEU A 67 10.059 -1.273 6.787 1.00 1.17 H new ATOM 0 HD12 LEU A 67 8.302 -1.423 6.552 1.00 1.17 H new ATOM 0 HD13 LEU A 67 9.044 0.187 6.711 1.00 1.17 H new ATOM 0 HD21 LEU A 67 10.962 -0.561 8.970 1.00 1.14 H new ATOM 0 HD22 LEU A 67 9.949 0.903 8.981 1.00 1.14 H new ATOM 0 HD23 LEU A 67 9.871 -0.245 10.340 1.00 1.14 H new ATOM 1084 N ILE A 68 4.058 -1.144 9.643 1.00 0.43 N ATOM 1085 CA ILE A 68 2.876 -0.468 10.142 1.00 0.38 C ATOM 1086 C ILE A 68 3.111 0.008 11.568 1.00 0.45 C ATOM 1087 O ILE A 68 3.319 -0.799 12.474 1.00 0.61 O ATOM 1088 CB ILE A 68 1.619 -1.356 10.122 1.00 0.38 C ATOM 1089 CG1 ILE A 68 1.361 -1.931 8.731 1.00 0.38 C ATOM 1090 CG2 ILE A 68 0.420 -0.545 10.582 1.00 0.46 C ATOM 1091 CD1 ILE A 68 0.172 -2.868 8.689 1.00 0.44 C ATOM 0 H ILE A 68 4.023 -2.163 9.679 1.00 0.43 H new ATOM 0 HA ILE A 68 2.700 0.374 9.473 1.00 0.38 H new ATOM 0 HB ILE A 68 1.781 -2.194 10.801 1.00 0.38 H new ATOM 0 HG12 ILE A 68 1.196 -1.112 8.030 1.00 0.38 H new ATOM 0 HG13 ILE A 68 2.249 -2.465 8.394 1.00 0.38 H new ATOM 0 HG21 ILE A 68 -0.471 -1.173 10.568 1.00 0.46 H new ATOM 0 HG22 ILE A 68 0.593 -0.183 11.595 1.00 0.46 H new ATOM 0 HG23 ILE A 68 0.276 0.303 9.913 1.00 0.46 H new ATOM 0 HD11 ILE A 68 0.040 -3.243 7.674 1.00 0.44 H new ATOM 0 HD12 ILE A 68 0.344 -3.705 9.366 1.00 0.44 H new ATOM 0 HD13 ILE A 68 -0.725 -2.331 8.997 1.00 0.44 H new ATOM 1103 N ARG A 69 3.092 1.316 11.763 1.00 0.43 N ATOM 1104 CA ARG A 69 3.225 1.880 13.095 1.00 0.55 C ATOM 1105 C ARG A 69 1.847 2.233 13.644 1.00 0.51 C ATOM 1106 O ARG A 69 1.640 2.279 14.859 1.00 0.67 O ATOM 1107 CB ARG A 69 4.134 3.118 13.101 1.00 0.70 C ATOM 1108 CG ARG A 69 5.601 2.833 12.796 1.00 1.19 C ATOM 1109 CD ARG A 69 5.881 2.799 11.304 1.00 0.74 C ATOM 1110 NE ARG A 69 7.307 2.680 11.015 1.00 1.08 N ATOM 1111 CZ ARG A 69 7.997 3.557 10.293 1.00 1.35 C ATOM 1112 NH1 ARG A 69 7.427 4.687 9.889 1.00 2.00 N ATOM 1113 NH2 ARG A 69 9.270 3.320 10.010 1.00 1.83 N ATOM 0 H ARG A 69 2.986 2.005 11.018 1.00 0.43 H new ATOM 0 HA ARG A 69 3.691 1.130 13.734 1.00 0.55 H new ATOM 0 HB2 ARG A 69 3.757 3.832 12.369 1.00 0.70 H new ATOM 0 HB3 ARG A 69 4.066 3.597 14.078 1.00 0.70 H new ATOM 0 HG2 ARG A 69 6.222 3.597 13.263 1.00 1.19 H new ATOM 0 HG3 ARG A 69 5.883 1.878 13.239 1.00 1.19 H new ATOM 0 HD2 ARG A 69 5.349 1.960 10.855 1.00 0.74 H new ATOM 0 HD3 ARG A 69 5.493 3.707 10.842 1.00 0.74 H new ATOM 0 HE ARG A 69 7.805 1.873 11.391 1.00 1.08 H new ATOM 0 HH11 ARG A 69 6.456 4.884 10.133 1.00 2.00 H new ATOM 0 HH12 ARG A 69 7.960 5.357 9.335 1.00 2.00 H new ATOM 0 HH21 ARG A 69 9.717 2.467 10.346 1.00 1.83 H new ATOM 0 HH22 ARG A 69 9.803 3.991 9.456 1.00 1.83 H new ATOM 1127 N LYS A 70 0.901 2.479 12.739 1.00 0.39 N ATOM 1128 CA LYS A 70 -0.475 2.768 13.131 1.00 0.41 C ATOM 1129 C LYS A 70 -1.483 2.084 12.208 1.00 0.35 C ATOM 1130 O LYS A 70 -1.478 2.305 10.995 1.00 0.40 O ATOM 1131 CB LYS A 70 -0.743 4.280 13.129 1.00 0.53 C ATOM 1132 CG LYS A 70 -2.220 4.631 13.277 1.00 0.62 C ATOM 1133 CD LYS A 70 -2.497 6.100 12.996 1.00 0.99 C ATOM 1134 CE LYS A 70 -2.139 6.986 14.176 1.00 1.08 C ATOM 1135 NZ LYS A 70 -2.971 6.682 15.370 1.00 1.53 N ATOM 0 H LYS A 70 1.063 2.484 11.732 1.00 0.39 H new ATOM 0 HA LYS A 70 -0.600 2.376 14.140 1.00 0.41 H new ATOM 0 HB2 LYS A 70 -0.184 4.742 13.942 1.00 0.53 H new ATOM 0 HB3 LYS A 70 -0.366 4.708 12.200 1.00 0.53 H new ATOM 0 HG2 LYS A 70 -2.807 4.016 12.595 1.00 0.62 H new ATOM 0 HG3 LYS A 70 -2.549 4.389 14.288 1.00 0.62 H new ATOM 0 HD2 LYS A 70 -1.928 6.415 12.121 1.00 0.99 H new ATOM 0 HD3 LYS A 70 -3.552 6.229 12.753 1.00 0.99 H new ATOM 0 HE2 LYS A 70 -1.086 6.853 14.424 1.00 1.08 H new ATOM 0 HE3 LYS A 70 -2.271 8.032 13.898 1.00 1.08 H new ATOM 0 HZ1 LYS A 70 -3.133 7.555 15.912 1.00 1.53 H new ATOM 0 HZ2 LYS A 70 -3.885 6.289 15.066 1.00 1.53 H new ATOM 0 HZ3 LYS A 70 -2.479 5.989 15.969 1.00 1.53 H new ATOM 1149 N VAL A 71 -2.333 1.253 12.794 1.00 0.35 N ATOM 1150 CA VAL A 71 -3.505 0.728 12.109 1.00 0.36 C ATOM 1151 C VAL A 71 -4.754 1.321 12.754 1.00 0.37 C ATOM 1152 O VAL A 71 -5.340 0.738 13.669 1.00 0.47 O ATOM 1153 CB VAL A 71 -3.578 -0.822 12.138 1.00 0.44 C ATOM 1154 CG1 VAL A 71 -2.762 -1.432 11.007 1.00 0.88 C ATOM 1155 CG2 VAL A 71 -3.101 -1.370 13.475 1.00 0.77 C ATOM 0 H VAL A 71 -2.230 0.925 13.754 1.00 0.35 H new ATOM 0 HA VAL A 71 -3.435 1.015 11.060 1.00 0.36 H new ATOM 0 HB VAL A 71 -4.623 -1.099 12.002 1.00 0.44 H new ATOM 0 HG11 VAL A 71 -2.832 -2.519 11.053 1.00 0.88 H new ATOM 0 HG12 VAL A 71 -3.150 -1.083 10.050 1.00 0.88 H new ATOM 0 HG13 VAL A 71 -1.719 -1.131 11.107 1.00 0.88 H new ATOM 0 HG21 VAL A 71 -3.164 -2.458 13.465 1.00 0.77 H new ATOM 0 HG22 VAL A 71 -2.068 -1.067 13.644 1.00 0.77 H new ATOM 0 HG23 VAL A 71 -3.730 -0.977 14.274 1.00 0.77 H new ATOM 1165 N ASP A 72 -5.141 2.502 12.299 1.00 0.33 N ATOM 1166 CA ASP A 72 -6.195 3.262 12.956 1.00 0.36 C ATOM 1167 C ASP A 72 -7.529 3.028 12.274 1.00 0.35 C ATOM 1168 O ASP A 72 -8.032 3.915 11.580 1.00 0.40 O ATOM 1169 CB ASP A 72 -5.865 4.757 12.948 1.00 0.41 C ATOM 1170 CG ASP A 72 -6.386 5.473 14.176 1.00 0.84 C ATOM 1171 OD1 ASP A 72 -7.541 5.943 14.162 1.00 1.24 O ATOM 1172 OD2 ASP A 72 -5.636 5.564 15.177 1.00 1.42 O ATOM 0 H ASP A 72 -4.742 2.956 11.477 1.00 0.33 H new ATOM 0 HA ASP A 72 -6.263 2.920 13.989 1.00 0.36 H new ATOM 0 HB2 ASP A 72 -4.784 4.887 12.887 1.00 0.41 H new ATOM 0 HB3 ASP A 72 -6.292 5.215 12.056 1.00 0.41 H new ATOM 1177 N GLU A 73 -8.061 1.808 12.453 1.00 0.38 N ATOM 1178 CA GLU A 73 -9.353 1.385 11.888 1.00 0.39 C ATOM 1179 C GLU A 73 -9.438 1.714 10.383 1.00 0.38 C ATOM 1180 O GLU A 73 -8.432 2.070 9.763 1.00 0.56 O ATOM 1181 CB GLU A 73 -10.524 2.026 12.669 1.00 0.46 C ATOM 1182 CG GLU A 73 -10.840 3.463 12.276 1.00 0.52 C ATOM 1183 CD GLU A 73 -12.127 3.976 12.883 1.00 0.74 C ATOM 1184 OE1 GLU A 73 -12.071 4.904 13.716 1.00 0.96 O ATOM 1185 OE2 GLU A 73 -13.200 3.436 12.548 1.00 0.92 O ATOM 0 H GLU A 73 -7.601 1.080 13.000 1.00 0.38 H new ATOM 0 HA GLU A 73 -9.430 0.303 11.991 1.00 0.39 H new ATOM 0 HB2 GLU A 73 -11.417 1.419 12.521 1.00 0.46 H new ATOM 0 HB3 GLU A 73 -10.292 1.998 13.734 1.00 0.46 H new ATOM 0 HG2 GLU A 73 -10.017 4.107 12.586 1.00 0.52 H new ATOM 0 HG3 GLU A 73 -10.906 3.530 11.190 1.00 0.52 H new ATOM 1192 N PRO A 74 -10.607 1.526 9.738 1.00 0.33 N ATOM 1193 CA PRO A 74 -10.861 2.135 8.434 1.00 0.32 C ATOM 1194 C PRO A 74 -10.861 3.662 8.531 1.00 0.31 C ATOM 1195 O PRO A 74 -11.918 4.291 8.584 1.00 0.35 O ATOM 1196 CB PRO A 74 -12.251 1.618 8.042 1.00 0.35 C ATOM 1197 CG PRO A 74 -12.461 0.404 8.880 1.00 0.36 C ATOM 1198 CD PRO A 74 -11.724 0.660 10.163 1.00 0.38 C ATOM 0 HA PRO A 74 -10.095 1.880 7.702 1.00 0.32 H new ATOM 0 HB2 PRO A 74 -13.019 2.367 8.233 1.00 0.35 H new ATOM 0 HB3 PRO A 74 -12.298 1.377 6.980 1.00 0.35 H new ATOM 0 HG2 PRO A 74 -13.522 0.236 9.065 1.00 0.36 H new ATOM 0 HG3 PRO A 74 -12.079 -0.487 8.381 1.00 0.36 H new ATOM 0 HD2 PRO A 74 -12.358 1.152 10.901 1.00 0.38 H new ATOM 0 HD3 PRO A 74 -11.368 -0.266 10.615 1.00 0.38 H new ATOM 1206 N ASP A 75 -9.665 4.237 8.608 1.00 0.30 N ATOM 1207 CA ASP A 75 -9.488 5.682 8.718 1.00 0.31 C ATOM 1208 C ASP A 75 -8.082 6.082 8.293 1.00 0.30 C ATOM 1209 O ASP A 75 -7.901 6.718 7.254 1.00 0.33 O ATOM 1210 CB ASP A 75 -9.750 6.162 10.151 1.00 0.34 C ATOM 1211 CG ASP A 75 -9.515 7.654 10.324 1.00 0.37 C ATOM 1212 OD1 ASP A 75 -8.392 8.044 10.701 1.00 0.40 O ATOM 1213 OD2 ASP A 75 -10.446 8.447 10.067 1.00 0.50 O ATOM 0 H ASP A 75 -8.789 3.714 8.596 1.00 0.30 H new ATOM 0 HA ASP A 75 -10.211 6.156 8.054 1.00 0.31 H new ATOM 0 HB2 ASP A 75 -10.778 5.926 10.426 1.00 0.34 H new ATOM 0 HB3 ASP A 75 -9.103 5.615 10.837 1.00 0.34 H new ATOM 1218 N THR A 76 -7.082 5.700 9.082 1.00 0.28 N ATOM 1219 CA THR A 76 -5.706 6.083 8.787 1.00 0.29 C ATOM 1220 C THR A 76 -4.716 4.949 9.038 1.00 0.29 C ATOM 1221 O THR A 76 -4.869 4.166 9.976 1.00 0.35 O ATOM 1222 CB THR A 76 -5.278 7.321 9.600 1.00 0.32 C ATOM 1223 OG1 THR A 76 -5.884 7.300 10.898 1.00 0.34 O ATOM 1224 CG2 THR A 76 -5.649 8.606 8.878 1.00 0.35 C ATOM 0 H THR A 76 -7.197 5.132 9.921 1.00 0.28 H new ATOM 0 HA THR A 76 -5.686 6.324 7.724 1.00 0.29 H new ATOM 0 HB THR A 76 -4.194 7.289 9.711 1.00 0.32 H new ATOM 0 HG1 THR A 76 -6.784 7.684 10.845 1.00 0.34 H new ATOM 0 HG21 THR A 76 -5.335 9.462 9.475 1.00 0.35 H new ATOM 0 HG22 THR A 76 -5.150 8.636 7.909 1.00 0.35 H new ATOM 0 HG23 THR A 76 -6.728 8.642 8.731 1.00 0.35 H new ATOM 1232 N LEU A 77 -3.704 4.862 8.180 1.00 0.29 N ATOM 1233 CA LEU A 77 -2.653 3.862 8.314 1.00 0.31 C ATOM 1234 C LEU A 77 -1.294 4.521 8.124 1.00 0.33 C ATOM 1235 O LEU A 77 -1.010 5.064 7.059 1.00 0.41 O ATOM 1236 CB LEU A 77 -2.807 2.736 7.276 1.00 0.33 C ATOM 1237 CG LEU A 77 -4.167 2.028 7.227 1.00 0.32 C ATOM 1238 CD1 LEU A 77 -5.179 2.837 6.431 1.00 0.74 C ATOM 1239 CD2 LEU A 77 -4.011 0.648 6.622 1.00 0.69 C ATOM 0 H LEU A 77 -3.591 5.480 7.376 1.00 0.29 H new ATOM 0 HA LEU A 77 -2.733 3.428 9.311 1.00 0.31 H new ATOM 0 HB2 LEU A 77 -2.604 3.152 6.289 1.00 0.33 H new ATOM 0 HB3 LEU A 77 -2.040 1.987 7.470 1.00 0.33 H new ATOM 0 HG LEU A 77 -4.538 1.933 8.247 1.00 0.32 H new ATOM 0 HD11 LEU A 77 -6.133 2.310 6.414 1.00 0.74 H new ATOM 0 HD12 LEU A 77 -5.312 3.813 6.897 1.00 0.74 H new ATOM 0 HD13 LEU A 77 -4.818 2.968 5.411 1.00 0.74 H new ATOM 0 HD21 LEU A 77 -4.981 0.152 6.591 1.00 0.69 H new ATOM 0 HD22 LEU A 77 -3.617 0.737 5.610 1.00 0.69 H new ATOM 0 HD23 LEU A 77 -3.323 0.060 7.229 1.00 0.69 H new ATOM 1251 N VAL A 78 -0.464 4.493 9.154 1.00 0.32 N ATOM 1252 CA VAL A 78 0.886 5.033 9.050 1.00 0.36 C ATOM 1253 C VAL A 78 1.889 3.892 8.943 1.00 0.34 C ATOM 1254 O VAL A 78 2.186 3.210 9.931 1.00 0.36 O ATOM 1255 CB VAL A 78 1.257 5.929 10.249 1.00 0.43 C ATOM 1256 CG1 VAL A 78 2.629 6.558 10.041 1.00 0.52 C ATOM 1257 CG2 VAL A 78 0.200 7.002 10.465 1.00 0.67 C ATOM 0 H VAL A 78 -0.697 4.105 10.068 1.00 0.32 H new ATOM 0 HA VAL A 78 0.917 5.653 8.154 1.00 0.36 H new ATOM 0 HB VAL A 78 1.297 5.307 11.143 1.00 0.43 H new ATOM 0 HG11 VAL A 78 2.874 7.187 10.897 1.00 0.52 H new ATOM 0 HG12 VAL A 78 3.378 5.772 9.941 1.00 0.52 H new ATOM 0 HG13 VAL A 78 2.617 7.165 9.136 1.00 0.52 H new ATOM 0 HG21 VAL A 78 0.481 7.623 11.315 1.00 0.67 H new ATOM 0 HG22 VAL A 78 0.123 7.622 9.572 1.00 0.67 H new ATOM 0 HG23 VAL A 78 -0.762 6.530 10.662 1.00 0.67 H new ATOM 1267 N ILE A 79 2.373 3.663 7.734 1.00 0.35 N ATOM 1268 CA ILE A 79 3.266 2.545 7.472 1.00 0.39 C ATOM 1269 C ILE A 79 4.533 2.980 6.723 1.00 0.40 C ATOM 1270 O ILE A 79 4.497 3.876 5.879 1.00 0.43 O ATOM 1271 CB ILE A 79 2.521 1.427 6.696 1.00 0.48 C ATOM 1272 CG1 ILE A 79 3.508 0.371 6.167 1.00 0.75 C ATOM 1273 CG2 ILE A 79 1.665 2.021 5.586 1.00 0.52 C ATOM 1274 CD1 ILE A 79 3.330 0.000 4.707 1.00 0.67 C ATOM 0 H ILE A 79 2.163 4.236 6.917 1.00 0.35 H new ATOM 0 HA ILE A 79 3.586 2.150 8.436 1.00 0.39 H new ATOM 0 HB ILE A 79 1.848 0.916 7.385 1.00 0.48 H new ATOM 0 HG12 ILE A 79 4.523 0.740 6.311 1.00 0.75 H new ATOM 0 HG13 ILE A 79 3.409 -0.531 6.770 1.00 0.75 H new ATOM 0 HG21 ILE A 79 1.151 1.220 5.054 1.00 0.52 H new ATOM 0 HG22 ILE A 79 0.930 2.700 6.017 1.00 0.52 H new ATOM 0 HG23 ILE A 79 2.300 2.569 4.890 1.00 0.52 H new ATOM 0 HD11 ILE A 79 4.071 -0.750 4.429 1.00 0.67 H new ATOM 0 HD12 ILE A 79 2.329 -0.404 4.554 1.00 0.67 H new ATOM 0 HD13 ILE A 79 3.462 0.887 4.088 1.00 0.67 H new ATOM 1286 N GLY A 80 5.654 2.359 7.082 1.00 0.42 N ATOM 1287 CA GLY A 80 6.903 2.567 6.373 1.00 0.46 C ATOM 1288 C GLY A 80 7.029 1.635 5.182 1.00 0.46 C ATOM 1289 O GLY A 80 6.400 0.578 5.152 1.00 0.50 O ATOM 0 H GLY A 80 5.717 1.706 7.863 1.00 0.42 H new ATOM 0 HA2 GLY A 80 6.962 3.601 6.035 1.00 0.46 H new ATOM 0 HA3 GLY A 80 7.740 2.405 7.053 1.00 0.46 H new ATOM 1293 N TRP A 81 7.860 2.002 4.220 1.00 0.50 N ATOM 1294 CA TRP A 81 7.904 1.301 2.943 1.00 0.51 C ATOM 1295 C TRP A 81 8.687 -0.014 3.010 1.00 0.53 C ATOM 1296 O TRP A 81 9.576 -0.188 3.842 1.00 0.81 O ATOM 1297 CB TRP A 81 8.486 2.215 1.862 1.00 0.74 C ATOM 1298 CG TRP A 81 8.623 1.534 0.544 1.00 0.80 C ATOM 1299 CD1 TRP A 81 9.779 1.232 -0.104 1.00 0.74 C ATOM 1300 CD2 TRP A 81 7.561 1.027 -0.262 1.00 1.40 C ATOM 1301 NE1 TRP A 81 9.506 0.562 -1.268 1.00 0.88 N ATOM 1302 CE2 TRP A 81 8.144 0.429 -1.391 1.00 1.44 C ATOM 1303 CE3 TRP A 81 6.170 1.026 -0.132 1.00 2.08 C ATOM 1304 CZ2 TRP A 81 7.378 -0.171 -2.384 1.00 2.12 C ATOM 1305 CZ3 TRP A 81 5.413 0.432 -1.118 1.00 2.78 C ATOM 1306 CH2 TRP A 81 6.018 -0.158 -2.232 1.00 2.79 C ATOM 0 H TRP A 81 8.514 2.781 4.297 1.00 0.50 H new ATOM 0 HA TRP A 81 6.877 1.039 2.688 1.00 0.51 H new ATOM 0 HB2 TRP A 81 7.846 3.090 1.749 1.00 0.74 H new ATOM 0 HB3 TRP A 81 9.463 2.574 2.184 1.00 0.74 H new ATOM 0 HD1 TRP A 81 10.769 1.483 0.247 1.00 0.74 H new ATOM 0 HE1 TRP A 81 10.199 0.219 -1.933 1.00 0.88 H new ATOM 0 HE3 TRP A 81 5.697 1.482 0.725 1.00 2.08 H new ATOM 0 HZ2 TRP A 81 7.840 -0.631 -3.245 1.00 2.12 H new ATOM 0 HZ3 TRP A 81 4.337 0.422 -1.029 1.00 2.78 H new ATOM 0 HH2 TRP A 81 5.398 -0.614 -2.990 1.00 2.79 H new ATOM 1317 N ARG A 82 8.344 -0.916 2.093 1.00 0.54 N ATOM 1318 CA ARG A 82 8.920 -2.247 2.034 1.00 0.74 C ATOM 1319 C ARG A 82 9.508 -2.524 0.643 1.00 0.81 C ATOM 1320 O ARG A 82 10.716 -2.420 0.449 1.00 1.47 O ATOM 1321 CB ARG A 82 7.834 -3.270 2.386 1.00 1.06 C ATOM 1322 CG ARG A 82 8.245 -4.718 2.201 1.00 1.64 C ATOM 1323 CD ARG A 82 7.438 -5.408 1.114 1.00 2.68 C ATOM 1324 NE ARG A 82 6.056 -5.645 1.524 1.00 3.63 N ATOM 1325 CZ ARG A 82 5.342 -6.708 1.151 1.00 4.53 C ATOM 1326 NH1 ARG A 82 5.849 -7.589 0.296 1.00 4.80 N ATOM 1327 NH2 ARG A 82 4.116 -6.880 1.618 1.00 5.46 N ATOM 0 H ARG A 82 7.652 -0.737 1.366 1.00 0.54 H new ATOM 0 HA ARG A 82 9.736 -2.325 2.752 1.00 0.74 H new ATOM 0 HB2 ARG A 82 7.536 -3.121 3.424 1.00 1.06 H new ATOM 0 HB3 ARG A 82 6.956 -3.074 1.771 1.00 1.06 H new ATOM 0 HG2 ARG A 82 9.305 -4.764 1.949 1.00 1.64 H new ATOM 0 HG3 ARG A 82 8.117 -5.253 3.142 1.00 1.64 H new ATOM 0 HD2 ARG A 82 7.448 -4.797 0.212 1.00 2.68 H new ATOM 0 HD3 ARG A 82 7.909 -6.358 0.861 1.00 2.68 H new ATOM 0 HE ARG A 82 5.611 -4.957 2.131 1.00 3.63 H new ATOM 0 HH11 ARG A 82 6.788 -7.454 -0.078 1.00 4.80 H new ATOM 0 HH12 ARG A 82 5.299 -8.400 0.014 1.00 4.80 H new ATOM 0 HH21 ARG A 82 3.716 -6.199 2.264 1.00 5.46 H new ATOM 0 HH22 ARG A 82 3.571 -7.693 1.332 1.00 5.46 H new ATOM 1341 N LEU A 83 8.630 -2.842 -0.317 1.00 0.79 N ATOM 1342 CA LEU A 83 9.020 -3.206 -1.682 1.00 0.86 C ATOM 1343 C LEU A 83 7.767 -3.692 -2.418 1.00 0.81 C ATOM 1344 O LEU A 83 6.879 -4.270 -1.798 1.00 1.21 O ATOM 1345 CB LEU A 83 10.088 -4.313 -1.661 1.00 1.23 C ATOM 1346 CG LEU A 83 11.101 -4.310 -2.818 1.00 1.13 C ATOM 1347 CD1 LEU A 83 10.452 -4.670 -4.140 1.00 1.55 C ATOM 1348 CD2 LEU A 83 11.777 -2.956 -2.927 1.00 1.28 C ATOM 0 H LEU A 83 7.621 -2.853 -0.165 1.00 0.79 H new ATOM 0 HA LEU A 83 9.447 -2.342 -2.191 1.00 0.86 H new ATOM 0 HB2 LEU A 83 10.640 -4.237 -0.724 1.00 1.23 H new ATOM 0 HB3 LEU A 83 9.580 -5.277 -1.655 1.00 1.23 H new ATOM 0 HG LEU A 83 11.849 -5.071 -2.595 1.00 1.13 H new ATOM 0 HD11 LEU A 83 11.203 -4.656 -4.930 1.00 1.55 H new ATOM 0 HD12 LEU A 83 10.016 -5.667 -4.072 1.00 1.55 H new ATOM 0 HD13 LEU A 83 9.670 -3.947 -4.370 1.00 1.55 H new ATOM 0 HD21 LEU A 83 12.491 -2.971 -3.751 1.00 1.28 H new ATOM 0 HD22 LEU A 83 11.026 -2.188 -3.112 1.00 1.28 H new ATOM 0 HD23 LEU A 83 12.301 -2.735 -1.997 1.00 1.28 H new ATOM 1360 N ASN A 84 7.680 -3.444 -3.722 1.00 0.76 N ATOM 1361 CA ASN A 84 6.485 -3.814 -4.484 1.00 1.00 C ATOM 1362 C ASN A 84 6.788 -4.837 -5.586 1.00 1.25 C ATOM 1363 O ASN A 84 6.291 -5.956 -5.555 1.00 1.93 O ATOM 1364 CB ASN A 84 5.851 -2.564 -5.099 1.00 1.26 C ATOM 1365 CG ASN A 84 4.537 -2.851 -5.805 1.00 1.08 C ATOM 1366 OD1 ASN A 84 4.588 -3.047 -7.113 1.00 1.81 O flip ATOM 1367 ND2 ASN A 84 3.479 -2.871 -5.186 1.00 0.94 N flip ATOM 0 H ASN A 84 8.412 -2.994 -4.271 1.00 0.76 H new ATOM 0 HA ASN A 84 5.789 -4.281 -3.787 1.00 1.00 H new ATOM 0 HB2 ASN A 84 5.682 -1.826 -4.315 1.00 1.26 H new ATOM 0 HB3 ASN A 84 6.549 -2.121 -5.809 1.00 1.26 H new ATOM 0 HD21 ASN A 84 3.475 -2.716 -4.178 1.00 0.94 H new ATOM 0 HD22 ASN A 84 2.603 -3.043 -5.679 1.00 0.94 H new ATOM 1374 N GLY A 85 7.617 -4.450 -6.554 1.00 1.69 N ATOM 1375 CA GLY A 85 7.793 -5.260 -7.755 1.00 2.21 C ATOM 1376 C GLY A 85 8.629 -6.514 -7.552 1.00 1.96 C ATOM 1377 O GLY A 85 8.688 -7.360 -8.442 1.00 2.40 O ATOM 0 H GLY A 85 8.170 -3.593 -6.531 1.00 1.69 H new ATOM 0 HA2 GLY A 85 6.811 -5.550 -8.130 1.00 2.21 H new ATOM 0 HA3 GLY A 85 8.261 -4.648 -8.526 1.00 2.21 H new ATOM 1381 N PHE A 86 9.281 -6.626 -6.391 1.00 1.79 N ATOM 1382 CA PHE A 86 10.167 -7.757 -6.078 1.00 2.29 C ATOM 1383 C PHE A 86 11.384 -7.764 -7.012 1.00 2.14 C ATOM 1384 O PHE A 86 12.121 -8.743 -7.106 1.00 2.77 O ATOM 1385 CB PHE A 86 9.399 -9.084 -6.158 1.00 3.16 C ATOM 1386 CG PHE A 86 10.081 -10.235 -5.465 1.00 3.79 C ATOM 1387 CD1 PHE A 86 10.262 -10.221 -4.091 1.00 4.45 C ATOM 1388 CD2 PHE A 86 10.530 -11.330 -6.185 1.00 4.03 C ATOM 1389 CE1 PHE A 86 10.881 -11.277 -3.449 1.00 5.26 C ATOM 1390 CE2 PHE A 86 11.150 -12.389 -5.548 1.00 4.80 C ATOM 1391 CZ PHE A 86 11.325 -12.362 -4.179 1.00 5.38 C ATOM 0 H PHE A 86 9.211 -5.938 -5.641 1.00 1.79 H new ATOM 0 HA PHE A 86 10.529 -7.640 -5.056 1.00 2.29 H new ATOM 0 HB2 PHE A 86 8.410 -8.946 -5.721 1.00 3.16 H new ATOM 0 HB3 PHE A 86 9.250 -9.342 -7.206 1.00 3.16 H new ATOM 0 HD1 PHE A 86 9.915 -9.375 -3.515 1.00 4.45 H new ATOM 0 HD2 PHE A 86 10.394 -11.357 -7.256 1.00 4.03 H new ATOM 0 HE1 PHE A 86 11.017 -11.254 -2.378 1.00 5.26 H new ATOM 0 HE2 PHE A 86 11.497 -13.236 -6.121 1.00 4.80 H new ATOM 0 HZ PHE A 86 11.809 -13.188 -3.679 1.00 5.38 H new ATOM 1401 N GLY A 87 11.586 -6.645 -7.691 1.00 1.90 N ATOM 1402 CA GLY A 87 12.753 -6.465 -8.526 1.00 2.08 C ATOM 1403 C GLY A 87 13.369 -5.110 -8.276 1.00 1.87 C ATOM 1404 O GLY A 87 13.888 -4.462 -9.182 1.00 2.30 O ATOM 0 H GLY A 87 10.951 -5.847 -7.677 1.00 1.90 H new ATOM 0 HA2 GLY A 87 13.482 -7.248 -8.318 1.00 2.08 H new ATOM 0 HA3 GLY A 87 12.476 -6.558 -9.576 1.00 2.08 H new ATOM 1408 N ARG A 88 13.277 -4.679 -7.032 1.00 1.33 N ATOM 1409 CA ARG A 88 13.721 -3.369 -6.631 1.00 1.18 C ATOM 1410 C ARG A 88 14.473 -3.432 -5.304 1.00 1.09 C ATOM 1411 O ARG A 88 14.365 -4.408 -4.569 1.00 1.21 O ATOM 1412 CB ARG A 88 12.493 -2.468 -6.523 1.00 0.98 C ATOM 1413 CG ARG A 88 12.680 -1.266 -5.629 1.00 1.64 C ATOM 1414 CD ARG A 88 11.768 -0.155 -6.039 1.00 2.32 C ATOM 1415 NE ARG A 88 10.350 -0.508 -5.951 1.00 3.00 N ATOM 1416 CZ ARG A 88 9.463 0.186 -5.236 1.00 3.96 C ATOM 1417 NH1 ARG A 88 9.872 1.099 -4.367 1.00 4.44 N ATOM 1418 NH2 ARG A 88 8.166 -0.071 -5.350 1.00 4.77 N ATOM 0 H ARG A 88 12.889 -5.236 -6.271 1.00 1.33 H new ATOM 0 HA ARG A 88 14.413 -2.966 -7.370 1.00 1.18 H new ATOM 0 HB2 ARG A 88 12.220 -2.125 -7.521 1.00 0.98 H new ATOM 0 HB3 ARG A 88 11.656 -3.058 -6.149 1.00 0.98 H new ATOM 0 HG2 ARG A 88 12.482 -1.542 -4.593 1.00 1.64 H new ATOM 0 HG3 ARG A 88 13.716 -0.929 -5.676 1.00 1.64 H new ATOM 0 HD2 ARG A 88 11.959 0.714 -5.409 1.00 2.32 H new ATOM 0 HD3 ARG A 88 12.000 0.137 -7.063 1.00 2.32 H new ATOM 0 HE ARG A 88 10.023 -1.327 -6.463 1.00 3.00 H new ATOM 0 HH11 ARG A 88 10.869 1.274 -4.242 1.00 4.44 H new ATOM 0 HH12 ARG A 88 9.190 1.627 -3.823 1.00 4.44 H new ATOM 0 HH21 ARG A 88 7.845 -0.801 -5.986 1.00 4.77 H new ATOM 0 HH22 ARG A 88 7.490 0.462 -4.802 1.00 4.77 H new ATOM 1432 N ILE A 89 15.232 -2.390 -5.013 1.00 1.08 N ATOM 1433 CA ILE A 89 15.913 -2.276 -3.743 1.00 1.08 C ATOM 1434 C ILE A 89 15.254 -1.183 -2.908 1.00 1.04 C ATOM 1435 O ILE A 89 15.076 -0.058 -3.372 1.00 1.15 O ATOM 1436 CB ILE A 89 17.432 -1.991 -3.939 1.00 1.29 C ATOM 1437 CG1 ILE A 89 18.159 -1.780 -2.592 1.00 1.86 C ATOM 1438 CG2 ILE A 89 17.649 -0.798 -4.865 1.00 1.11 C ATOM 1439 CD1 ILE A 89 17.944 -0.414 -1.958 1.00 1.70 C ATOM 0 H ILE A 89 15.391 -1.607 -5.647 1.00 1.08 H new ATOM 0 HA ILE A 89 15.830 -3.226 -3.214 1.00 1.08 H new ATOM 0 HB ILE A 89 17.867 -2.874 -4.408 1.00 1.29 H new ATOM 0 HG12 ILE A 89 17.826 -2.546 -1.892 1.00 1.86 H new ATOM 0 HG13 ILE A 89 19.228 -1.930 -2.745 1.00 1.86 H new ATOM 0 HG21 ILE A 89 18.718 -0.620 -4.985 1.00 1.11 H new ATOM 0 HG22 ILE A 89 17.204 -1.007 -5.838 1.00 1.11 H new ATOM 0 HG23 ILE A 89 17.180 0.087 -4.434 1.00 1.11 H new ATOM 0 HD11 ILE A 89 18.492 -0.359 -1.017 1.00 1.70 H new ATOM 0 HD12 ILE A 89 18.304 0.362 -2.634 1.00 1.70 H new ATOM 0 HD13 ILE A 89 16.881 -0.264 -1.768 1.00 1.70 H new ATOM 1451 N ASP A 90 14.883 -1.536 -1.687 1.00 1.05 N ATOM 1452 CA ASP A 90 14.407 -0.565 -0.713 1.00 1.15 C ATOM 1453 C ASP A 90 14.882 -0.961 0.680 1.00 1.01 C ATOM 1454 O ASP A 90 15.067 -2.146 0.962 1.00 1.14 O ATOM 1455 CB ASP A 90 12.885 -0.427 -0.757 1.00 1.54 C ATOM 1456 CG ASP A 90 12.430 0.539 -1.834 1.00 2.36 C ATOM 1457 OD1 ASP A 90 11.798 0.090 -2.809 1.00 2.64 O ATOM 1458 OD2 ASP A 90 12.735 1.748 -1.724 1.00 3.18 O ATOM 0 H ASP A 90 14.903 -2.497 -1.345 1.00 1.05 H new ATOM 0 HA ASP A 90 14.823 0.411 -0.965 1.00 1.15 H new ATOM 0 HB2 ASP A 90 12.438 -1.405 -0.936 1.00 1.54 H new ATOM 0 HB3 ASP A 90 12.524 -0.084 0.213 1.00 1.54 H new ATOM 1463 N PRO A 91 15.098 0.028 1.564 1.00 1.32 N ATOM 1464 CA PRO A 91 15.725 -0.188 2.876 1.00 1.52 C ATOM 1465 C PRO A 91 14.864 -0.974 3.863 1.00 1.24 C ATOM 1466 O PRO A 91 15.369 -1.401 4.904 1.00 1.58 O ATOM 1467 CB PRO A 91 15.956 1.230 3.413 1.00 2.16 C ATOM 1468 CG PRO A 91 15.752 2.135 2.248 1.00 2.36 C ATOM 1469 CD PRO A 91 14.766 1.441 1.356 1.00 1.92 C ATOM 0 HA PRO A 91 16.629 -0.787 2.764 1.00 1.52 H new ATOM 0 HB2 PRO A 91 15.259 1.463 4.218 1.00 2.16 H new ATOM 0 HB3 PRO A 91 16.961 1.336 3.821 1.00 2.16 H new ATOM 0 HG2 PRO A 91 15.373 3.105 2.569 1.00 2.36 H new ATOM 0 HG3 PRO A 91 16.691 2.317 1.725 1.00 2.36 H new ATOM 0 HD2 PRO A 91 13.737 1.663 1.638 1.00 1.92 H new ATOM 0 HD3 PRO A 91 14.882 1.737 0.313 1.00 1.92 H new ATOM 1477 N ASP A 92 13.576 -1.148 3.558 1.00 1.06 N ATOM 1478 CA ASP A 92 12.676 -1.913 4.432 1.00 1.34 C ATOM 1479 C ASP A 92 12.595 -1.246 5.816 1.00 1.18 C ATOM 1480 O ASP A 92 12.446 -1.908 6.838 1.00 1.61 O ATOM 1481 CB ASP A 92 13.199 -3.367 4.529 1.00 1.93 C ATOM 1482 CG ASP A 92 12.334 -4.315 5.351 1.00 2.60 C ATOM 1483 OD1 ASP A 92 11.255 -4.713 4.875 1.00 2.98 O ATOM 1484 OD2 ASP A 92 12.775 -4.722 6.453 1.00 2.99 O ATOM 0 H ASP A 92 13.133 -0.774 2.719 1.00 1.06 H new ATOM 0 HA ASP A 92 11.667 -1.930 4.019 1.00 1.34 H new ATOM 0 HB2 ASP A 92 13.294 -3.770 3.521 1.00 1.93 H new ATOM 0 HB3 ASP A 92 14.200 -3.348 4.960 1.00 1.93 H new ATOM 1489 N ASN A 93 12.682 0.086 5.849 1.00 1.06 N ATOM 1490 CA ASN A 93 12.728 0.798 7.128 1.00 1.26 C ATOM 1491 C ASN A 93 11.942 2.105 7.100 1.00 1.04 C ATOM 1492 O ASN A 93 10.805 2.172 7.558 1.00 1.49 O ATOM 1493 CB ASN A 93 14.179 1.083 7.545 1.00 1.65 C ATOM 1494 CG ASN A 93 14.794 -0.031 8.370 1.00 2.22 C ATOM 1495 OD1 ASN A 93 14.710 -0.024 9.599 1.00 3.06 O ATOM 1496 ND2 ASN A 93 15.420 -0.989 7.706 1.00 2.21 N ATOM 0 H ASN A 93 12.721 0.683 5.023 1.00 1.06 H new ATOM 0 HA ASN A 93 12.258 0.141 7.860 1.00 1.26 H new ATOM 0 HB2 ASN A 93 14.783 1.240 6.651 1.00 1.65 H new ATOM 0 HB3 ASN A 93 14.210 2.010 8.118 1.00 1.65 H new ATOM 0 HD21 ASN A 93 15.856 -1.760 8.213 1.00 2.21 H new ATOM 0 HD22 ASN A 93 15.467 -0.957 6.688 1.00 2.21 H new ATOM 1503 N SER A 94 12.550 3.142 6.556 1.00 0.68 N ATOM 1504 CA SER A 94 12.001 4.485 6.652 1.00 0.77 C ATOM 1505 C SER A 94 10.852 4.720 5.660 1.00 0.72 C ATOM 1506 O SER A 94 9.867 3.977 5.641 1.00 1.22 O ATOM 1507 CB SER A 94 13.121 5.493 6.417 1.00 1.19 C ATOM 1508 OG SER A 94 14.265 5.175 7.189 1.00 1.85 O ATOM 0 H SER A 94 13.428 3.081 6.041 1.00 0.68 H new ATOM 0 HA SER A 94 11.581 4.611 7.650 1.00 0.77 H new ATOM 0 HB2 SER A 94 13.385 5.508 5.360 1.00 1.19 H new ATOM 0 HB3 SER A 94 12.773 6.494 6.673 1.00 1.19 H new ATOM 0 HG SER A 94 14.969 5.836 7.019 1.00 1.85 H new ATOM 1514 N SER A 95 10.987 5.777 4.857 1.00 0.60 N ATOM 1515 CA SER A 95 9.970 6.184 3.894 1.00 0.67 C ATOM 1516 C SER A 95 8.741 6.765 4.605 1.00 0.70 C ATOM 1517 O SER A 95 8.557 7.978 4.601 1.00 1.27 O ATOM 1518 CB SER A 95 9.592 5.018 2.975 1.00 0.93 C ATOM 1519 OG SER A 95 10.747 4.440 2.387 1.00 1.44 O ATOM 0 H SER A 95 11.812 6.377 4.859 1.00 0.60 H new ATOM 0 HA SER A 95 10.388 6.973 3.269 1.00 0.67 H new ATOM 0 HB2 SER A 95 9.052 4.262 3.544 1.00 0.93 H new ATOM 0 HB3 SER A 95 8.919 5.370 2.193 1.00 0.93 H new ATOM 0 HG SER A 95 11.038 3.673 2.923 1.00 1.44 H new ATOM 1525 N GLU A 96 7.920 5.895 5.204 1.00 0.48 N ATOM 1526 CA GLU A 96 6.758 6.296 6.009 1.00 0.45 C ATOM 1527 C GLU A 96 5.726 7.103 5.216 1.00 0.45 C ATOM 1528 O GLU A 96 5.998 8.206 4.730 1.00 0.60 O ATOM 1529 CB GLU A 96 7.217 7.078 7.243 1.00 0.56 C ATOM 1530 CG GLU A 96 6.083 7.578 8.125 1.00 1.11 C ATOM 1531 CD GLU A 96 6.586 8.373 9.312 1.00 1.30 C ATOM 1532 OE1 GLU A 96 6.353 9.600 9.351 1.00 1.81 O ATOM 1533 OE2 GLU A 96 7.214 7.776 10.215 1.00 1.33 O ATOM 0 H GLU A 96 8.043 4.884 5.144 1.00 0.48 H new ATOM 0 HA GLU A 96 6.258 5.379 6.321 1.00 0.45 H new ATOM 0 HB2 GLU A 96 7.872 6.442 7.839 1.00 0.56 H new ATOM 0 HB3 GLU A 96 7.812 7.931 6.917 1.00 0.56 H new ATOM 0 HG2 GLU A 96 5.412 8.200 7.532 1.00 1.11 H new ATOM 0 HG3 GLU A 96 5.500 6.728 8.480 1.00 1.11 H new ATOM 1540 N PHE A 97 4.536 6.548 5.076 1.00 0.39 N ATOM 1541 CA PHE A 97 3.437 7.275 4.472 1.00 0.40 C ATOM 1542 C PHE A 97 2.178 7.155 5.313 1.00 0.41 C ATOM 1543 O PHE A 97 1.786 6.060 5.721 1.00 0.53 O ATOM 1544 CB PHE A 97 3.179 6.837 3.020 1.00 0.51 C ATOM 1545 CG PHE A 97 3.089 5.352 2.784 1.00 0.42 C ATOM 1546 CD1 PHE A 97 4.238 4.596 2.594 1.00 0.46 C ATOM 1547 CD2 PHE A 97 1.857 4.718 2.716 1.00 0.50 C ATOM 1548 CE1 PHE A 97 4.158 3.240 2.343 1.00 0.53 C ATOM 1549 CE2 PHE A 97 1.774 3.361 2.469 1.00 0.64 C ATOM 1550 CZ PHE A 97 2.926 2.621 2.282 1.00 0.63 C ATOM 0 H PHE A 97 4.307 5.599 5.372 1.00 0.39 H new ATOM 0 HA PHE A 97 3.726 8.325 4.440 1.00 0.40 H new ATOM 0 HB2 PHE A 97 2.249 7.295 2.683 1.00 0.51 H new ATOM 0 HB3 PHE A 97 3.977 7.237 2.394 1.00 0.51 H new ATOM 0 HD1 PHE A 97 5.205 5.074 2.643 1.00 0.46 H new ATOM 0 HD2 PHE A 97 0.953 5.291 2.858 1.00 0.50 H new ATOM 0 HE1 PHE A 97 5.060 2.664 2.194 1.00 0.53 H new ATOM 0 HE2 PHE A 97 0.809 2.879 2.422 1.00 0.64 H new ATOM 0 HZ PHE A 97 2.862 1.560 2.089 1.00 0.63 H new ATOM 1560 N THR A 98 1.578 8.299 5.596 1.00 0.35 N ATOM 1561 CA THR A 98 0.346 8.355 6.353 1.00 0.36 C ATOM 1562 C THR A 98 -0.845 8.281 5.405 1.00 0.33 C ATOM 1563 O THR A 98 -1.135 9.230 4.671 1.00 0.36 O ATOM 1564 CB THR A 98 0.259 9.649 7.190 1.00 0.38 C ATOM 1565 OG1 THR A 98 1.419 9.770 8.029 1.00 0.43 O ATOM 1566 CG2 THR A 98 -0.995 9.661 8.053 1.00 0.40 C ATOM 0 H THR A 98 1.933 9.211 5.307 1.00 0.35 H new ATOM 0 HA THR A 98 0.331 7.505 7.035 1.00 0.36 H new ATOM 0 HB THR A 98 0.214 10.493 6.502 1.00 0.38 H new ATOM 0 HG1 THR A 98 1.357 10.594 8.556 1.00 0.43 H new ATOM 0 HG21 THR A 98 -1.030 10.584 8.632 1.00 0.40 H new ATOM 0 HG22 THR A 98 -1.876 9.599 7.415 1.00 0.40 H new ATOM 0 HG23 THR A 98 -0.978 8.808 8.731 1.00 0.40 H new ATOM 1574 N VAL A 99 -1.514 7.144 5.409 1.00 0.33 N ATOM 1575 CA VAL A 99 -2.673 6.935 4.565 1.00 0.35 C ATOM 1576 C VAL A 99 -3.903 7.543 5.214 1.00 0.31 C ATOM 1577 O VAL A 99 -4.378 7.045 6.231 1.00 0.32 O ATOM 1578 CB VAL A 99 -2.916 5.426 4.318 1.00 0.45 C ATOM 1579 CG1 VAL A 99 -4.178 5.198 3.503 1.00 0.75 C ATOM 1580 CG2 VAL A 99 -1.721 4.800 3.621 1.00 0.87 C ATOM 0 H VAL A 99 -1.271 6.344 5.994 1.00 0.33 H new ATOM 0 HA VAL A 99 -2.484 7.419 3.607 1.00 0.35 H new ATOM 0 HB VAL A 99 -3.048 4.947 5.288 1.00 0.45 H new ATOM 0 HG11 VAL A 99 -4.322 4.129 3.346 1.00 0.75 H new ATOM 0 HG12 VAL A 99 -5.036 5.605 4.039 1.00 0.75 H new ATOM 0 HG13 VAL A 99 -4.083 5.697 2.538 1.00 0.75 H new ATOM 0 HG21 VAL A 99 -1.911 3.739 3.456 1.00 0.87 H new ATOM 0 HG22 VAL A 99 -1.559 5.293 2.662 1.00 0.87 H new ATOM 0 HG23 VAL A 99 -0.834 4.918 4.244 1.00 0.87 H new ATOM 1590 N THR A 100 -4.405 8.627 4.641 1.00 0.31 N ATOM 1591 CA THR A 100 -5.575 9.283 5.186 1.00 0.30 C ATOM 1592 C THR A 100 -6.799 9.012 4.329 1.00 0.26 C ATOM 1593 O THR A 100 -6.938 9.560 3.239 1.00 0.28 O ATOM 1594 CB THR A 100 -5.363 10.803 5.300 1.00 0.36 C ATOM 1595 OG1 THR A 100 -4.145 11.074 6.008 1.00 0.45 O ATOM 1596 CG2 THR A 100 -6.532 11.456 6.023 1.00 0.36 C ATOM 0 H THR A 100 -4.020 9.066 3.804 1.00 0.31 H new ATOM 0 HA THR A 100 -5.736 8.873 6.183 1.00 0.30 H new ATOM 0 HB THR A 100 -5.299 11.219 4.294 1.00 0.36 H new ATOM 0 HG1 THR A 100 -4.015 12.043 6.076 1.00 0.45 H new ATOM 0 HG21 THR A 100 -6.362 12.530 6.093 1.00 0.36 H new ATOM 0 HG22 THR A 100 -7.452 11.269 5.469 1.00 0.36 H new ATOM 0 HG23 THR A 100 -6.620 11.037 7.025 1.00 0.36 H new ATOM 1604 N PHE A 101 -7.682 8.163 4.819 1.00 0.25 N ATOM 1605 CA PHE A 101 -8.929 7.899 4.131 1.00 0.24 C ATOM 1606 C PHE A 101 -9.969 8.934 4.536 1.00 0.25 C ATOM 1607 O PHE A 101 -10.412 8.963 5.686 1.00 0.31 O ATOM 1608 CB PHE A 101 -9.444 6.492 4.446 1.00 0.26 C ATOM 1609 CG PHE A 101 -8.684 5.381 3.784 1.00 0.25 C ATOM 1610 CD1 PHE A 101 -8.682 5.254 2.407 1.00 0.31 C ATOM 1611 CD2 PHE A 101 -7.988 4.451 4.538 1.00 0.28 C ATOM 1612 CE1 PHE A 101 -7.999 4.224 1.791 1.00 0.34 C ATOM 1613 CE2 PHE A 101 -7.303 3.419 3.928 1.00 0.31 C ATOM 1614 CZ PHE A 101 -7.307 3.305 2.552 1.00 0.29 C ATOM 0 H PHE A 101 -7.558 7.646 5.689 1.00 0.25 H new ATOM 0 HA PHE A 101 -8.749 7.963 3.058 1.00 0.24 H new ATOM 0 HB2 PHE A 101 -9.413 6.342 5.525 1.00 0.26 H new ATOM 0 HB3 PHE A 101 -10.490 6.427 4.145 1.00 0.26 H new ATOM 0 HD1 PHE A 101 -9.222 5.970 1.805 1.00 0.31 H new ATOM 0 HD2 PHE A 101 -7.981 4.534 5.615 1.00 0.28 H new ATOM 0 HE1 PHE A 101 -8.007 4.138 0.714 1.00 0.34 H new ATOM 0 HE2 PHE A 101 -6.764 2.701 4.528 1.00 0.31 H new ATOM 0 HZ PHE A 101 -6.770 2.499 2.073 1.00 0.29 H new ATOM 1624 N VAL A 102 -10.330 9.797 3.603 1.00 0.29 N ATOM 1625 CA VAL A 102 -11.354 10.797 3.850 1.00 0.31 C ATOM 1626 C VAL A 102 -12.710 10.243 3.433 1.00 0.30 C ATOM 1627 O VAL A 102 -12.974 10.054 2.242 1.00 0.34 O ATOM 1628 CB VAL A 102 -11.070 12.110 3.083 1.00 0.36 C ATOM 1629 CG1 VAL A 102 -12.073 13.188 3.470 1.00 0.52 C ATOM 1630 CG2 VAL A 102 -9.645 12.583 3.338 1.00 0.54 C ATOM 0 H VAL A 102 -9.929 9.826 2.666 1.00 0.29 H new ATOM 0 HA VAL A 102 -11.352 11.028 4.915 1.00 0.31 H new ATOM 0 HB VAL A 102 -11.178 11.913 2.017 1.00 0.36 H new ATOM 0 HG11 VAL A 102 -11.855 14.103 2.919 1.00 0.52 H new ATOM 0 HG12 VAL A 102 -13.081 12.851 3.229 1.00 0.52 H new ATOM 0 HG13 VAL A 102 -12.002 13.383 4.540 1.00 0.52 H new ATOM 0 HG21 VAL A 102 -9.465 13.508 2.790 1.00 0.54 H new ATOM 0 HG22 VAL A 102 -9.506 12.760 4.404 1.00 0.54 H new ATOM 0 HG23 VAL A 102 -8.943 11.820 3.003 1.00 0.54 H new ATOM 1640 N ALA A 103 -13.554 9.958 4.415 1.00 0.31 N ATOM 1641 CA ALA A 103 -14.835 9.321 4.158 1.00 0.35 C ATOM 1642 C ALA A 103 -15.831 10.283 3.526 1.00 0.39 C ATOM 1643 O ALA A 103 -15.994 11.424 3.968 1.00 0.44 O ATOM 1644 CB ALA A 103 -15.408 8.744 5.441 1.00 0.44 C ATOM 0 H ALA A 103 -13.373 10.159 5.398 1.00 0.31 H new ATOM 0 HA ALA A 103 -14.659 8.513 3.448 1.00 0.35 H new ATOM 0 HB1 ALA A 103 -16.367 8.271 5.231 1.00 0.44 H new ATOM 0 HB2 ALA A 103 -14.719 8.003 5.846 1.00 0.44 H new ATOM 0 HB3 ALA A 103 -15.550 9.544 6.168 1.00 0.44 H new ATOM 1650 N ASP A 104 -16.475 9.811 2.474 1.00 0.48 N ATOM 1651 CA ASP A 104 -17.591 10.505 1.866 1.00 0.57 C ATOM 1652 C ASP A 104 -18.865 9.743 2.192 1.00 0.64 C ATOM 1653 O ASP A 104 -18.975 8.550 1.895 1.00 0.73 O ATOM 1654 CB ASP A 104 -17.418 10.619 0.347 1.00 0.58 C ATOM 1655 CG ASP A 104 -16.378 11.637 -0.063 1.00 1.21 C ATOM 1656 OD1 ASP A 104 -16.595 12.846 0.169 1.00 1.34 O ATOM 1657 OD2 ASP A 104 -15.323 11.234 -0.600 1.00 2.03 O ATOM 0 H ASP A 104 -16.236 8.931 2.017 1.00 0.48 H new ATOM 0 HA ASP A 104 -17.642 11.518 2.265 1.00 0.57 H new ATOM 0 HB2 ASP A 104 -17.140 9.644 -0.054 1.00 0.58 H new ATOM 0 HB3 ASP A 104 -18.375 10.887 -0.101 1.00 0.58 H new ATOM 1662 N GLY A 105 -19.812 10.434 2.810 1.00 0.71 N ATOM 1663 CA GLY A 105 -21.013 9.796 3.329 1.00 0.83 C ATOM 1664 C GLY A 105 -21.794 8.988 2.305 1.00 1.06 C ATOM 1665 O GLY A 105 -22.508 8.052 2.669 1.00 1.97 O ATOM 0 H GLY A 105 -19.771 11.441 2.965 1.00 0.71 H new ATOM 0 HA2 GLY A 105 -20.733 9.140 4.153 1.00 0.83 H new ATOM 0 HA3 GLY A 105 -21.667 10.564 3.742 1.00 0.83 H new ATOM 1669 N GLN A 106 -21.664 9.328 1.030 1.00 1.24 N ATOM 1670 CA GLN A 106 -22.411 8.639 -0.016 1.00 2.07 C ATOM 1671 C GLN A 106 -21.677 7.368 -0.467 1.00 1.73 C ATOM 1672 O GLN A 106 -21.659 7.040 -1.655 1.00 2.51 O ATOM 1673 CB GLN A 106 -22.630 9.577 -1.207 1.00 2.98 C ATOM 1674 CG GLN A 106 -23.733 9.117 -2.150 1.00 3.83 C ATOM 1675 CD GLN A 106 -23.799 9.946 -3.416 1.00 4.45 C ATOM 1676 OE1 GLN A 106 -23.463 11.130 -3.417 1.00 4.84 O ATOM 1677 NE2 GLN A 106 -24.233 9.331 -4.502 1.00 4.93 N ATOM 0 H GLN A 106 -21.052 10.072 0.695 1.00 1.24 H new ATOM 0 HA GLN A 106 -23.380 8.345 0.389 1.00 2.07 H new ATOM 0 HB2 GLN A 106 -22.873 10.572 -0.835 1.00 2.98 H new ATOM 0 HB3 GLN A 106 -21.698 9.664 -1.766 1.00 2.98 H new ATOM 0 HG2 GLN A 106 -23.569 8.072 -2.412 1.00 3.83 H new ATOM 0 HG3 GLN A 106 -24.692 9.170 -1.635 1.00 3.83 H new ATOM 0 HE21 GLN A 106 -24.502 8.348 -4.458 1.00 4.93 H new ATOM 0 HE22 GLN A 106 -24.299 9.839 -5.384 1.00 4.93 H new ATOM 1686 N LYS A 107 -21.088 6.648 0.494 1.00 0.73 N ATOM 1687 CA LYS A 107 -20.376 5.394 0.221 1.00 0.48 C ATOM 1688 C LYS A 107 -19.251 5.634 -0.764 1.00 0.38 C ATOM 1689 O LYS A 107 -19.055 4.892 -1.719 1.00 0.47 O ATOM 1690 CB LYS A 107 -21.342 4.316 -0.277 1.00 0.72 C ATOM 1691 CG LYS A 107 -22.522 4.115 0.660 1.00 1.55 C ATOM 1692 CD LYS A 107 -22.066 4.007 2.108 1.00 2.23 C ATOM 1693 CE LYS A 107 -23.199 4.314 3.068 1.00 2.95 C ATOM 1694 NZ LYS A 107 -22.708 4.573 4.447 1.00 3.53 N ATOM 0 H LYS A 107 -21.091 6.916 1.478 1.00 0.73 H new ATOM 0 HA LYS A 107 -19.937 5.031 1.150 1.00 0.48 H new ATOM 0 HB2 LYS A 107 -21.710 4.591 -1.266 1.00 0.72 H new ATOM 0 HB3 LYS A 107 -20.805 3.374 -0.387 1.00 0.72 H new ATOM 0 HG2 LYS A 107 -23.217 4.948 0.557 1.00 1.55 H new ATOM 0 HG3 LYS A 107 -23.063 3.212 0.378 1.00 1.55 H new ATOM 0 HD2 LYS A 107 -21.688 3.003 2.298 1.00 2.23 H new ATOM 0 HD3 LYS A 107 -21.241 4.697 2.284 1.00 2.23 H new ATOM 0 HE2 LYS A 107 -23.751 5.183 2.711 1.00 2.95 H new ATOM 0 HE3 LYS A 107 -23.897 3.477 3.083 1.00 2.95 H new ATOM 0 HZ1 LYS A 107 -23.515 4.778 5.070 1.00 3.53 H new ATOM 0 HZ2 LYS A 107 -22.203 3.735 4.799 1.00 3.53 H new ATOM 0 HZ3 LYS A 107 -22.062 5.388 4.438 1.00 3.53 H new ATOM 1708 N LYS A 108 -18.506 6.680 -0.487 1.00 0.32 N ATOM 1709 CA LYS A 108 -17.373 7.074 -1.291 1.00 0.29 C ATOM 1710 C LYS A 108 -16.229 7.419 -0.348 1.00 0.27 C ATOM 1711 O LYS A 108 -16.467 7.716 0.817 1.00 0.28 O ATOM 1712 CB LYS A 108 -17.779 8.267 -2.166 1.00 0.33 C ATOM 1713 CG LYS A 108 -16.643 8.946 -2.907 1.00 0.50 C ATOM 1714 CD LYS A 108 -17.174 10.036 -3.827 1.00 1.09 C ATOM 1715 CE LYS A 108 -16.063 10.928 -4.351 1.00 1.62 C ATOM 1716 NZ LYS A 108 -15.519 11.824 -3.296 1.00 2.44 N ATOM 0 H LYS A 108 -18.673 7.289 0.314 1.00 0.32 H new ATOM 0 HA LYS A 108 -17.047 6.273 -1.955 1.00 0.29 H new ATOM 0 HB2 LYS A 108 -18.514 7.927 -2.895 1.00 0.33 H new ATOM 0 HB3 LYS A 108 -18.273 9.007 -1.536 1.00 0.33 H new ATOM 0 HG2 LYS A 108 -15.942 9.377 -2.192 1.00 0.50 H new ATOM 0 HG3 LYS A 108 -16.091 8.209 -3.490 1.00 0.50 H new ATOM 0 HD2 LYS A 108 -17.698 9.579 -4.666 1.00 1.09 H new ATOM 0 HD3 LYS A 108 -17.902 10.642 -3.288 1.00 1.09 H new ATOM 0 HE2 LYS A 108 -15.259 10.309 -4.750 1.00 1.62 H new ATOM 0 HE3 LYS A 108 -16.441 11.530 -5.177 1.00 1.62 H new ATOM 0 HZ1 LYS A 108 -14.590 12.185 -3.592 1.00 2.44 H new ATOM 0 HZ2 LYS A 108 -16.170 12.622 -3.149 1.00 2.44 H new ATOM 0 HZ3 LYS A 108 -15.417 11.292 -2.408 1.00 2.44 H new ATOM 1730 N THR A 109 -14.995 7.326 -0.805 1.00 0.26 N ATOM 1731 CA THR A 109 -13.866 7.675 0.044 1.00 0.25 C ATOM 1732 C THR A 109 -12.658 8.084 -0.773 1.00 0.26 C ATOM 1733 O THR A 109 -12.146 7.312 -1.581 1.00 0.35 O ATOM 1734 CB THR A 109 -13.485 6.515 0.986 1.00 0.26 C ATOM 1735 OG1 THR A 109 -14.544 6.295 1.916 1.00 0.39 O ATOM 1736 CG2 THR A 109 -12.198 6.807 1.744 1.00 0.42 C ATOM 0 H THR A 109 -14.748 7.017 -1.745 1.00 0.26 H new ATOM 0 HA THR A 109 -14.183 8.526 0.647 1.00 0.25 H new ATOM 0 HB THR A 109 -13.323 5.625 0.378 1.00 0.26 H new ATOM 0 HG1 THR A 109 -15.185 7.035 1.863 1.00 0.39 H new ATOM 0 HG21 THR A 109 -11.962 5.967 2.397 1.00 0.42 H new ATOM 0 HG22 THR A 109 -11.384 6.955 1.035 1.00 0.42 H new ATOM 0 HG23 THR A 109 -12.325 7.708 2.343 1.00 0.42 H new ATOM 1744 N ARG A 110 -12.223 9.307 -0.567 1.00 0.25 N ATOM 1745 CA ARG A 110 -11.003 9.791 -1.171 1.00 0.27 C ATOM 1746 C ARG A 110 -9.848 9.637 -0.190 1.00 0.26 C ATOM 1747 O ARG A 110 -9.824 10.284 0.855 1.00 0.33 O ATOM 1748 CB ARG A 110 -11.164 11.257 -1.584 1.00 0.35 C ATOM 1749 CG ARG A 110 -9.856 11.943 -1.942 1.00 0.68 C ATOM 1750 CD ARG A 110 -9.141 11.246 -3.089 1.00 0.62 C ATOM 1751 NE ARG A 110 -9.833 11.417 -4.362 1.00 1.27 N ATOM 1752 CZ ARG A 110 -9.483 12.322 -5.272 1.00 1.75 C ATOM 1753 NH1 ARG A 110 -8.482 13.163 -5.030 1.00 2.08 N ATOM 1754 NH2 ARG A 110 -10.138 12.395 -6.419 1.00 2.59 N ATOM 0 H ARG A 110 -12.702 9.990 0.020 1.00 0.25 H new ATOM 0 HA ARG A 110 -10.788 9.204 -2.064 1.00 0.27 H new ATOM 0 HB2 ARG A 110 -11.837 11.311 -2.439 1.00 0.35 H new ATOM 0 HB3 ARG A 110 -11.639 11.804 -0.769 1.00 0.35 H new ATOM 0 HG2 ARG A 110 -10.053 12.980 -2.215 1.00 0.68 H new ATOM 0 HG3 ARG A 110 -9.206 11.962 -1.068 1.00 0.68 H new ATOM 0 HD2 ARG A 110 -8.128 11.639 -3.174 1.00 0.62 H new ATOM 0 HD3 ARG A 110 -9.053 10.183 -2.866 1.00 0.62 H new ATOM 0 HE ARG A 110 -10.627 10.810 -4.565 1.00 1.27 H new ATOM 0 HH11 ARG A 110 -7.979 13.116 -4.144 1.00 2.08 H new ATOM 0 HH12 ARG A 110 -8.217 13.855 -5.731 1.00 2.08 H new ATOM 0 HH21 ARG A 110 -10.912 11.757 -6.606 1.00 2.59 H new ATOM 0 HH22 ARG A 110 -9.869 13.089 -7.116 1.00 2.59 H new ATOM 1768 N VAL A 111 -8.907 8.760 -0.502 1.00 0.27 N ATOM 1769 CA VAL A 111 -7.725 8.630 0.334 1.00 0.27 C ATOM 1770 C VAL A 111 -6.660 9.593 -0.132 1.00 0.29 C ATOM 1771 O VAL A 111 -6.425 9.733 -1.340 1.00 0.32 O ATOM 1772 CB VAL A 111 -7.120 7.210 0.344 1.00 0.27 C ATOM 1773 CG1 VAL A 111 -6.616 6.834 -1.025 1.00 0.40 C ATOM 1774 CG2 VAL A 111 -5.976 7.121 1.339 1.00 0.33 C ATOM 0 H VAL A 111 -8.936 8.139 -1.311 1.00 0.27 H new ATOM 0 HA VAL A 111 -8.054 8.853 1.349 1.00 0.27 H new ATOM 0 HB VAL A 111 -7.908 6.517 0.639 1.00 0.27 H new ATOM 0 HG11 VAL A 111 -6.194 5.829 -0.994 1.00 0.40 H new ATOM 0 HG12 VAL A 111 -7.442 6.859 -1.736 1.00 0.40 H new ATOM 0 HG13 VAL A 111 -5.847 7.541 -1.337 1.00 0.40 H new ATOM 0 HG21 VAL A 111 -5.564 6.112 1.330 1.00 0.33 H new ATOM 0 HG22 VAL A 111 -5.198 7.833 1.064 1.00 0.33 H new ATOM 0 HG23 VAL A 111 -6.344 7.354 2.338 1.00 0.33 H new ATOM 1784 N ASP A 112 -6.027 10.237 0.831 1.00 0.31 N ATOM 1785 CA ASP A 112 -4.943 11.156 0.569 1.00 0.37 C ATOM 1786 C ASP A 112 -3.740 10.738 1.402 1.00 0.37 C ATOM 1787 O ASP A 112 -3.749 10.834 2.629 1.00 0.40 O ATOM 1788 CB ASP A 112 -5.380 12.580 0.902 1.00 0.50 C ATOM 1789 CG ASP A 112 -4.519 13.623 0.227 1.00 0.80 C ATOM 1790 OD1 ASP A 112 -3.621 14.185 0.886 1.00 1.12 O ATOM 1791 OD2 ASP A 112 -4.748 13.895 -0.970 1.00 1.38 O ATOM 0 H ASP A 112 -6.254 10.135 1.820 1.00 0.31 H new ATOM 0 HA ASP A 112 -4.669 11.131 -0.486 1.00 0.37 H new ATOM 0 HB2 ASP A 112 -6.418 12.718 0.598 1.00 0.50 H new ATOM 0 HB3 ASP A 112 -5.342 12.725 1.982 1.00 0.50 H new ATOM 1796 N VAL A 113 -2.738 10.208 0.730 1.00 0.38 N ATOM 1797 CA VAL A 113 -1.568 9.658 1.392 1.00 0.41 C ATOM 1798 C VAL A 113 -0.426 10.652 1.413 1.00 0.43 C ATOM 1799 O VAL A 113 0.037 11.089 0.363 1.00 0.47 O ATOM 1800 CB VAL A 113 -1.107 8.361 0.691 1.00 0.50 C ATOM 1801 CG1 VAL A 113 0.343 8.024 1.024 1.00 0.91 C ATOM 1802 CG2 VAL A 113 -2.019 7.216 1.077 1.00 0.77 C ATOM 0 H VAL A 113 -2.710 10.146 -0.288 1.00 0.38 H new ATOM 0 HA VAL A 113 -1.852 9.434 2.420 1.00 0.41 H new ATOM 0 HB VAL A 113 -1.165 8.521 -0.386 1.00 0.50 H new ATOM 0 HG11 VAL A 113 0.630 7.105 0.512 1.00 0.91 H new ATOM 0 HG12 VAL A 113 0.990 8.838 0.698 1.00 0.91 H new ATOM 0 HG13 VAL A 113 0.447 7.887 2.100 1.00 0.91 H new ATOM 0 HG21 VAL A 113 -1.689 6.304 0.579 1.00 0.77 H new ATOM 0 HG22 VAL A 113 -1.986 7.073 2.157 1.00 0.77 H new ATOM 0 HG23 VAL A 113 -3.040 7.446 0.773 1.00 0.77 H new ATOM 1812 N GLU A 114 0.028 10.986 2.608 1.00 0.47 N ATOM 1813 CA GLU A 114 1.173 11.858 2.769 1.00 0.55 C ATOM 1814 C GLU A 114 2.426 11.018 2.980 1.00 0.60 C ATOM 1815 O GLU A 114 2.571 10.342 3.998 1.00 0.62 O ATOM 1816 CB GLU A 114 0.958 12.800 3.949 1.00 0.67 C ATOM 1817 CG GLU A 114 2.001 13.896 4.045 1.00 1.31 C ATOM 1818 CD GLU A 114 1.822 14.749 5.280 1.00 1.75 C ATOM 1819 OE1 GLU A 114 2.656 14.646 6.207 1.00 2.31 O ATOM 1820 OE2 GLU A 114 0.847 15.525 5.333 1.00 2.05 O ATOM 0 H GLU A 114 -0.383 10.663 3.484 1.00 0.47 H new ATOM 0 HA GLU A 114 1.295 12.460 1.869 1.00 0.55 H new ATOM 0 HB2 GLU A 114 -0.029 13.255 3.866 1.00 0.67 H new ATOM 0 HB3 GLU A 114 0.965 12.221 4.872 1.00 0.67 H new ATOM 0 HG2 GLU A 114 2.995 13.449 4.055 1.00 1.31 H new ATOM 0 HG3 GLU A 114 1.945 14.527 3.158 1.00 1.31 H new ATOM 1827 N HIS A 115 3.309 11.039 2.002 1.00 0.70 N ATOM 1828 CA HIS A 115 4.533 10.259 2.054 1.00 0.80 C ATOM 1829 C HIS A 115 5.734 11.186 1.897 1.00 0.89 C ATOM 1830 O HIS A 115 5.875 11.854 0.873 1.00 1.17 O ATOM 1831 CB HIS A 115 4.499 9.210 0.939 1.00 0.92 C ATOM 1832 CG HIS A 115 5.681 8.295 0.891 1.00 0.87 C ATOM 1833 ND1 HIS A 115 6.384 7.895 1.999 1.00 1.59 N ATOM 1834 CD2 HIS A 115 6.287 7.711 -0.164 1.00 1.36 C ATOM 1835 CE1 HIS A 115 7.372 7.110 1.624 1.00 1.64 C ATOM 1836 NE2 HIS A 115 7.342 6.981 0.312 1.00 1.47 N ATOM 0 H HIS A 115 3.201 11.593 1.153 1.00 0.70 H new ATOM 0 HA HIS A 115 4.619 9.750 3.014 1.00 0.80 H new ATOM 0 HB2 HIS A 115 3.598 8.608 1.055 1.00 0.92 H new ATOM 0 HB3 HIS A 115 4.418 9.723 -0.019 1.00 0.92 H new ATOM 0 HD1 HIS A 115 6.174 8.163 2.961 1.00 1.59 H new ATOM 0 HD2 HIS A 115 5.992 7.803 -1.199 1.00 1.36 H new ATOM 0 HE1 HIS A 115 8.091 6.647 2.284 1.00 1.64 H new ATOM 0 HE2 HIS A 115 7.992 6.432 -0.250 1.00 1.47 H new ATOM 1845 N THR A 116 6.587 11.243 2.912 1.00 0.90 N ATOM 1846 CA THR A 116 7.702 12.181 2.907 1.00 1.08 C ATOM 1847 C THR A 116 8.808 11.743 3.860 1.00 0.83 C ATOM 1848 O THR A 116 8.668 11.880 5.074 1.00 1.67 O ATOM 1849 CB THR A 116 7.233 13.600 3.309 1.00 1.92 C ATOM 1850 OG1 THR A 116 6.217 14.059 2.411 1.00 2.67 O ATOM 1851 CG2 THR A 116 8.389 14.585 3.299 1.00 2.51 C ATOM 0 H THR A 116 6.529 10.655 3.744 1.00 0.90 H new ATOM 0 HA THR A 116 8.094 12.197 1.890 1.00 1.08 H new ATOM 0 HB THR A 116 6.832 13.541 4.321 1.00 1.92 H new ATOM 0 HG1 THR A 116 5.927 14.957 2.676 1.00 2.67 H new ATOM 0 HG21 THR A 116 8.028 15.573 3.586 1.00 2.51 H new ATOM 0 HG22 THR A 116 9.152 14.258 4.006 1.00 2.51 H new ATOM 0 HG23 THR A 116 8.818 14.632 2.298 1.00 2.51 H new ATOM 1859 N HIS A 117 9.896 11.198 3.307 1.00 0.72 N ATOM 1860 CA HIS A 117 11.093 10.904 4.099 1.00 1.13 C ATOM 1861 C HIS A 117 12.197 10.311 3.227 1.00 0.90 C ATOM 1862 O HIS A 117 13.212 10.955 2.970 1.00 0.97 O ATOM 1863 CB HIS A 117 10.780 9.936 5.248 1.00 1.98 C ATOM 1864 CG HIS A 117 11.646 10.129 6.456 1.00 2.07 C ATOM 1865 ND1 HIS A 117 11.136 10.438 7.699 1.00 2.40 N ATOM 1866 CD2 HIS A 117 12.988 10.045 6.615 1.00 2.33 C ATOM 1867 CE1 HIS A 117 12.124 10.540 8.566 1.00 2.60 C ATOM 1868 NE2 HIS A 117 13.257 10.304 7.934 1.00 2.63 N ATOM 0 H HIS A 117 9.972 10.953 2.320 1.00 0.72 H new ATOM 0 HA HIS A 117 11.437 11.849 4.518 1.00 1.13 H new ATOM 0 HB2 HIS A 117 9.736 10.057 5.538 1.00 1.98 H new ATOM 0 HB3 HIS A 117 10.895 8.913 4.890 1.00 1.98 H new ATOM 0 HD2 HIS A 117 13.711 9.817 5.846 1.00 2.33 H new ATOM 0 HE1 HIS A 117 12.023 10.776 9.615 1.00 2.60 H new ATOM 0 HE2 HIS A 117 14.184 10.313 8.358 1.00 2.63 H new ATOM 1877 N PHE A 118 11.979 9.088 2.761 1.00 0.76 N ATOM 1878 CA PHE A 118 13.016 8.334 2.059 1.00 0.76 C ATOM 1879 C PHE A 118 13.181 8.793 0.610 1.00 0.65 C ATOM 1880 O PHE A 118 14.294 9.083 0.170 1.00 0.74 O ATOM 1881 CB PHE A 118 12.697 6.835 2.103 1.00 0.97 C ATOM 1882 CG PHE A 118 13.607 5.998 1.259 1.00 1.74 C ATOM 1883 CD1 PHE A 118 14.954 5.915 1.555 1.00 2.35 C ATOM 1884 CD2 PHE A 118 13.114 5.289 0.179 1.00 2.32 C ATOM 1885 CE1 PHE A 118 15.797 5.139 0.787 1.00 3.18 C ATOM 1886 CE2 PHE A 118 13.951 4.513 -0.593 1.00 3.21 C ATOM 1887 CZ PHE A 118 15.287 4.459 -0.318 1.00 3.54 C ATOM 0 H PHE A 118 11.092 8.594 2.856 1.00 0.76 H new ATOM 0 HA PHE A 118 13.960 8.522 2.571 1.00 0.76 H new ATOM 0 HB2 PHE A 118 12.756 6.491 3.136 1.00 0.97 H new ATOM 0 HB3 PHE A 118 11.669 6.682 1.774 1.00 0.97 H new ATOM 0 HD1 PHE A 118 15.351 6.463 2.396 1.00 2.35 H new ATOM 0 HD2 PHE A 118 12.063 5.344 -0.062 1.00 2.32 H new ATOM 0 HE1 PHE A 118 16.844 5.059 1.040 1.00 3.18 H new ATOM 0 HE2 PHE A 118 13.548 3.945 -1.419 1.00 3.21 H new ATOM 0 HZ PHE A 118 15.948 3.890 -0.955 1.00 3.54 H new ATOM 1897 N ASP A 119 12.075 8.873 -0.116 1.00 0.66 N ATOM 1898 CA ASP A 119 12.095 9.173 -1.545 1.00 0.75 C ATOM 1899 C ASP A 119 12.512 10.616 -1.768 1.00 0.74 C ATOM 1900 O ASP A 119 13.265 10.931 -2.689 1.00 0.83 O ATOM 1901 CB ASP A 119 10.705 8.946 -2.151 1.00 0.94 C ATOM 1902 CG ASP A 119 9.727 8.337 -1.162 1.00 1.34 C ATOM 1903 OD1 ASP A 119 9.279 7.187 -1.388 1.00 1.75 O ATOM 1904 OD2 ASP A 119 9.397 8.997 -0.155 1.00 1.81 O ATOM 0 H ASP A 119 11.140 8.733 0.266 1.00 0.66 H new ATOM 0 HA ASP A 119 12.812 8.510 -2.030 1.00 0.75 H new ATOM 0 HB2 ASP A 119 10.309 9.897 -2.508 1.00 0.94 H new ATOM 0 HB3 ASP A 119 10.794 8.291 -3.018 1.00 0.94 H new ATOM 1909 N ARG A 120 12.030 11.476 -0.885 1.00 0.76 N ATOM 1910 CA ARG A 120 12.283 12.909 -0.957 1.00 0.89 C ATOM 1911 C ARG A 120 13.768 13.226 -0.793 1.00 0.83 C ATOM 1912 O ARG A 120 14.235 14.294 -1.189 1.00 1.00 O ATOM 1913 CB ARG A 120 11.487 13.616 0.142 1.00 1.07 C ATOM 1914 CG ARG A 120 11.407 15.122 -0.024 1.00 1.50 C ATOM 1915 CD ARG A 120 10.846 15.787 1.220 1.00 1.71 C ATOM 1916 NE ARG A 120 10.321 17.118 0.940 1.00 2.15 N ATOM 1917 CZ ARG A 120 10.572 18.193 1.678 1.00 2.66 C ATOM 1918 NH1 ARG A 120 11.378 18.111 2.732 1.00 2.90 N ATOM 1919 NH2 ARG A 120 10.012 19.353 1.362 1.00 3.38 N ATOM 0 H ARG A 120 11.449 11.200 -0.093 1.00 0.76 H new ATOM 0 HA ARG A 120 11.970 13.262 -1.940 1.00 0.89 H new ATOM 0 HB2 ARG A 120 10.476 13.209 0.163 1.00 1.07 H new ATOM 0 HB3 ARG A 120 11.941 13.391 1.107 1.00 1.07 H new ATOM 0 HG2 ARG A 120 12.400 15.520 -0.235 1.00 1.50 H new ATOM 0 HG3 ARG A 120 10.779 15.362 -0.882 1.00 1.50 H new ATOM 0 HD2 ARG A 120 10.054 15.165 1.637 1.00 1.71 H new ATOM 0 HD3 ARG A 120 11.627 15.858 1.977 1.00 1.71 H new ATOM 0 HE ARG A 120 9.721 17.231 0.123 1.00 2.15 H new ATOM 0 HH11 ARG A 120 11.807 17.219 2.978 1.00 2.90 H new ATOM 0 HH12 ARG A 120 11.567 18.940 3.295 1.00 2.90 H new ATOM 0 HH21 ARG A 120 9.391 19.417 0.555 1.00 3.38 H new ATOM 0 HH22 ARG A 120 10.202 20.181 1.926 1.00 3.38 H new ATOM 1933 N MET A 121 14.503 12.287 -0.217 1.00 0.73 N ATOM 1934 CA MET A 121 15.868 12.535 0.226 1.00 0.91 C ATOM 1935 C MET A 121 16.895 12.474 -0.919 1.00 1.12 C ATOM 1936 O MET A 121 18.056 12.119 -0.707 1.00 1.41 O ATOM 1937 CB MET A 121 16.227 11.529 1.320 1.00 1.05 C ATOM 1938 CG MET A 121 17.388 11.970 2.195 1.00 1.28 C ATOM 1939 SD MET A 121 17.110 13.586 2.947 1.00 2.15 S ATOM 1940 CE MET A 121 15.615 13.274 3.885 1.00 2.43 C ATOM 0 H MET A 121 14.174 11.337 -0.044 1.00 0.73 H new ATOM 0 HA MET A 121 15.909 13.552 0.616 1.00 0.91 H new ATOM 0 HB2 MET A 121 15.353 11.361 1.949 1.00 1.05 H new ATOM 0 HB3 MET A 121 16.475 10.574 0.857 1.00 1.05 H new ATOM 0 HG2 MET A 121 17.549 11.231 2.979 1.00 1.28 H new ATOM 0 HG3 MET A 121 18.298 12.003 1.596 1.00 1.28 H new ATOM 0 HE1 MET A 121 15.454 14.087 4.593 1.00 2.43 H new ATOM 0 HE2 MET A 121 14.765 13.211 3.205 1.00 2.43 H new ATOM 0 HE3 MET A 121 15.716 12.334 4.428 1.00 2.43 H new ATOM 1950 N GLY A 122 16.486 12.815 -2.128 1.00 1.18 N ATOM 1951 CA GLY A 122 17.460 13.019 -3.184 1.00 1.61 C ATOM 1952 C GLY A 122 17.311 12.085 -4.366 1.00 1.21 C ATOM 1953 O GLY A 122 16.471 11.183 -4.364 1.00 1.30 O ATOM 0 H GLY A 122 15.512 12.954 -2.399 1.00 1.18 H new ATOM 0 HA2 GLY A 122 17.383 14.047 -3.538 1.00 1.61 H new ATOM 0 HA3 GLY A 122 18.460 12.899 -2.767 1.00 1.61 H new ATOM 1957 N THR A 123 18.169 12.303 -5.363 1.00 1.27 N ATOM 1958 CA THR A 123 18.114 11.599 -6.636 1.00 1.42 C ATOM 1959 C THR A 123 18.168 10.079 -6.474 1.00 1.27 C ATOM 1960 O THR A 123 17.235 9.383 -6.860 1.00 1.24 O ATOM 1961 CB THR A 123 19.274 12.047 -7.545 1.00 1.94 C ATOM 1962 OG1 THR A 123 19.380 13.477 -7.530 1.00 2.44 O ATOM 1963 CG2 THR A 123 19.069 11.565 -8.975 1.00 2.58 C ATOM 0 H THR A 123 18.928 12.981 -5.305 1.00 1.27 H new ATOM 0 HA THR A 123 17.156 11.853 -7.089 1.00 1.42 H new ATOM 0 HB THR A 123 20.194 11.606 -7.162 1.00 1.94 H new ATOM 0 HG1 THR A 123 20.120 13.756 -8.108 1.00 2.44 H new ATOM 0 HG21 THR A 123 19.903 11.896 -9.594 1.00 2.58 H new ATOM 0 HG22 THR A 123 19.017 10.476 -8.988 1.00 2.58 H new ATOM 0 HG23 THR A 123 18.140 11.977 -9.368 1.00 2.58 H new ATOM 1971 N LYS A 124 19.253 9.570 -5.892 1.00 1.28 N ATOM 1972 CA LYS A 124 19.462 8.125 -5.819 1.00 1.24 C ATOM 1973 C LYS A 124 18.401 7.455 -4.954 1.00 1.05 C ATOM 1974 O LYS A 124 17.967 6.340 -5.246 1.00 1.04 O ATOM 1975 CB LYS A 124 20.859 7.789 -5.293 1.00 1.43 C ATOM 1976 CG LYS A 124 21.131 6.293 -5.256 1.00 2.04 C ATOM 1977 CD LYS A 124 22.556 5.985 -4.837 1.00 2.45 C ATOM 1978 CE LYS A 124 22.808 4.489 -4.801 1.00 3.14 C ATOM 1979 NZ LYS A 124 24.220 4.174 -4.463 1.00 3.80 N ATOM 0 H LYS A 124 19.993 10.130 -5.469 1.00 1.28 H new ATOM 0 HA LYS A 124 19.375 7.737 -6.834 1.00 1.24 H new ATOM 0 HB2 LYS A 124 21.605 8.274 -5.922 1.00 1.43 H new ATOM 0 HB3 LYS A 124 20.973 8.199 -4.290 1.00 1.43 H new ATOM 0 HG2 LYS A 124 20.438 5.816 -4.563 1.00 2.04 H new ATOM 0 HG3 LYS A 124 20.942 5.866 -6.241 1.00 2.04 H new ATOM 0 HD2 LYS A 124 23.252 6.457 -5.531 1.00 2.45 H new ATOM 0 HD3 LYS A 124 22.749 6.412 -3.853 1.00 2.45 H new ATOM 0 HE2 LYS A 124 22.147 4.027 -4.068 1.00 3.14 H new ATOM 0 HE3 LYS A 124 22.561 4.056 -5.770 1.00 3.14 H new ATOM 0 HZ1 LYS A 124 24.352 3.142 -4.448 1.00 3.80 H new ATOM 0 HZ2 LYS A 124 24.850 4.593 -5.177 1.00 3.80 H new ATOM 0 HZ3 LYS A 124 24.449 4.565 -3.527 1.00 3.80 H new ATOM 1993 N HIS A 125 17.975 8.139 -3.897 1.00 0.96 N ATOM 1994 CA HIS A 125 16.928 7.617 -3.027 1.00 0.85 C ATOM 1995 C HIS A 125 15.649 7.381 -3.826 1.00 0.76 C ATOM 1996 O HIS A 125 15.080 6.288 -3.804 1.00 0.76 O ATOM 1997 CB HIS A 125 16.664 8.570 -1.856 1.00 0.85 C ATOM 1998 CG HIS A 125 17.689 8.486 -0.761 1.00 1.23 C ATOM 1999 ND1 HIS A 125 18.538 9.518 -0.432 1.00 1.80 N ATOM 2000 CD2 HIS A 125 17.971 7.485 0.104 1.00 1.80 C ATOM 2001 CE1 HIS A 125 19.301 9.152 0.583 1.00 2.14 C ATOM 2002 NE2 HIS A 125 18.976 7.924 0.930 1.00 2.12 N ATOM 0 H HIS A 125 18.337 9.052 -3.623 1.00 0.96 H new ATOM 0 HA HIS A 125 17.265 6.665 -2.616 1.00 0.85 H new ATOM 0 HB2 HIS A 125 16.632 9.592 -2.232 1.00 0.85 H new ATOM 0 HB3 HIS A 125 15.681 8.353 -1.438 1.00 0.85 H new ATOM 0 HD1 HIS A 125 18.573 10.424 -0.899 1.00 1.80 H new ATOM 0 HD2 HIS A 125 17.493 6.517 0.139 1.00 1.80 H new ATOM 0 HE1 HIS A 125 20.063 9.758 1.050 1.00 2.14 H new ATOM 2011 N ALA A 126 15.227 8.394 -4.566 1.00 0.77 N ATOM 2012 CA ALA A 126 14.031 8.288 -5.388 1.00 0.80 C ATOM 2013 C ALA A 126 14.266 7.367 -6.587 1.00 0.86 C ATOM 2014 O ALA A 126 13.337 6.742 -7.100 1.00 0.92 O ATOM 2015 CB ALA A 126 13.601 9.669 -5.850 1.00 0.92 C ATOM 0 H ALA A 126 15.695 9.299 -4.615 1.00 0.77 H new ATOM 0 HA ALA A 126 13.234 7.850 -4.786 1.00 0.80 H new ATOM 0 HB1 ALA A 126 12.705 9.584 -6.465 1.00 0.92 H new ATOM 0 HB2 ALA A 126 13.388 10.293 -4.982 1.00 0.92 H new ATOM 0 HB3 ALA A 126 14.401 10.123 -6.435 1.00 0.92 H new ATOM 2021 N LYS A 127 15.516 7.283 -7.022 1.00 0.92 N ATOM 2022 CA LYS A 127 15.883 6.450 -8.159 1.00 1.05 C ATOM 2023 C LYS A 127 15.761 4.968 -7.819 1.00 0.97 C ATOM 2024 O LYS A 127 15.325 4.166 -8.646 1.00 1.04 O ATOM 2025 CB LYS A 127 17.306 6.771 -8.616 1.00 1.26 C ATOM 2026 CG LYS A 127 17.736 6.017 -9.863 1.00 1.55 C ATOM 2027 CD LYS A 127 19.130 6.423 -10.305 1.00 1.93 C ATOM 2028 CE LYS A 127 19.569 5.648 -11.534 1.00 2.38 C ATOM 2029 NZ LYS A 127 20.895 6.096 -12.028 1.00 2.83 N ATOM 0 H LYS A 127 16.298 7.785 -6.601 1.00 0.92 H new ATOM 0 HA LYS A 127 15.191 6.669 -8.973 1.00 1.05 H new ATOM 0 HB2 LYS A 127 17.384 7.842 -8.806 1.00 1.26 H new ATOM 0 HB3 LYS A 127 17.998 6.540 -7.806 1.00 1.26 H new ATOM 0 HG2 LYS A 127 17.713 4.945 -9.667 1.00 1.55 H new ATOM 0 HG3 LYS A 127 17.027 6.209 -10.668 1.00 1.55 H new ATOM 0 HD2 LYS A 127 19.148 7.491 -10.521 1.00 1.93 H new ATOM 0 HD3 LYS A 127 19.836 6.250 -9.493 1.00 1.93 H new ATOM 0 HE2 LYS A 127 19.610 4.585 -11.297 1.00 2.38 H new ATOM 0 HE3 LYS A 127 18.828 5.770 -12.324 1.00 2.38 H new ATOM 0 HZ1 LYS A 127 21.158 5.542 -12.868 1.00 2.83 H new ATOM 0 HZ2 LYS A 127 20.850 7.104 -12.279 1.00 2.83 H new ATOM 0 HZ3 LYS A 127 21.608 5.956 -11.284 1.00 2.83 H new ATOM 2043 N ARG A 128 16.142 4.596 -6.605 1.00 0.94 N ATOM 2044 CA ARG A 128 16.013 3.208 -6.190 1.00 1.00 C ATOM 2045 C ARG A 128 14.543 2.876 -5.957 1.00 0.97 C ATOM 2046 O ARG A 128 14.111 1.750 -6.195 1.00 1.09 O ATOM 2047 CB ARG A 128 16.867 2.913 -4.950 1.00 1.14 C ATOM 2048 CG ARG A 128 16.379 3.572 -3.675 1.00 1.11 C ATOM 2049 CD ARG A 128 17.529 4.149 -2.867 1.00 1.34 C ATOM 2050 NE ARG A 128 18.575 3.167 -2.597 1.00 1.59 N ATOM 2051 CZ ARG A 128 19.053 2.905 -1.382 1.00 1.95 C ATOM 2052 NH1 ARG A 128 18.548 3.521 -0.321 1.00 2.14 N ATOM 2053 NH2 ARG A 128 20.030 2.023 -1.226 1.00 2.59 N ATOM 0 H ARG A 128 16.535 5.223 -5.903 1.00 0.94 H new ATOM 0 HA ARG A 128 16.389 2.566 -6.987 1.00 1.00 H new ATOM 0 HB2 ARG A 128 16.900 1.834 -4.796 1.00 1.14 H new ATOM 0 HB3 ARG A 128 17.889 3.239 -5.143 1.00 1.14 H new ATOM 0 HG2 ARG A 128 15.673 4.365 -3.922 1.00 1.11 H new ATOM 0 HG3 ARG A 128 15.840 2.842 -3.071 1.00 1.11 H new ATOM 0 HD2 ARG A 128 17.959 4.993 -3.406 1.00 1.34 H new ATOM 0 HD3 ARG A 128 17.146 4.535 -1.922 1.00 1.34 H new ATOM 0 HE ARG A 128 18.963 2.651 -3.386 1.00 1.59 H new ATOM 0 HH11 ARG A 128 17.792 4.197 -0.435 1.00 2.14 H new ATOM 0 HH12 ARG A 128 18.915 3.319 0.609 1.00 2.14 H new ATOM 0 HH21 ARG A 128 20.418 1.543 -2.038 1.00 2.59 H new ATOM 0 HH22 ARG A 128 20.394 1.825 -0.294 1.00 2.59 H new ATOM 2067 N VAL A 129 13.772 3.871 -5.520 1.00 0.91 N ATOM 2068 CA VAL A 129 12.320 3.728 -5.424 1.00 1.04 C ATOM 2069 C VAL A 129 11.699 3.463 -6.798 1.00 1.04 C ATOM 2070 O VAL A 129 10.917 2.527 -6.969 1.00 1.19 O ATOM 2071 CB VAL A 129 11.648 4.981 -4.819 1.00 1.16 C ATOM 2072 CG1 VAL A 129 10.131 4.844 -4.847 1.00 1.43 C ATOM 2073 CG2 VAL A 129 12.131 5.219 -3.399 1.00 1.48 C ATOM 0 H VAL A 129 14.127 4.782 -5.228 1.00 0.91 H new ATOM 0 HA VAL A 129 12.144 2.879 -4.764 1.00 1.04 H new ATOM 0 HB VAL A 129 11.929 5.842 -5.426 1.00 1.16 H new ATOM 0 HG11 VAL A 129 9.677 5.737 -4.417 1.00 1.43 H new ATOM 0 HG12 VAL A 129 9.795 4.727 -5.877 1.00 1.43 H new ATOM 0 HG13 VAL A 129 9.834 3.970 -4.267 1.00 1.43 H new ATOM 0 HG21 VAL A 129 11.645 6.106 -2.993 1.00 1.48 H new ATOM 0 HG22 VAL A 129 11.885 4.355 -2.781 1.00 1.48 H new ATOM 0 HG23 VAL A 129 13.211 5.367 -3.402 1.00 1.48 H new ATOM 2083 N ARG A 130 12.055 4.279 -7.788 1.00 0.99 N ATOM 2084 CA ARG A 130 11.462 4.153 -9.120 1.00 1.14 C ATOM 2085 C ARG A 130 11.854 2.835 -9.783 1.00 1.05 C ATOM 2086 O ARG A 130 11.244 2.432 -10.768 1.00 1.24 O ATOM 2087 CB ARG A 130 11.802 5.363 -10.019 1.00 1.30 C ATOM 2088 CG ARG A 130 13.278 5.549 -10.372 1.00 1.75 C ATOM 2089 CD ARG A 130 13.753 4.577 -11.447 1.00 1.86 C ATOM 2090 NE ARG A 130 12.914 4.622 -12.645 1.00 2.36 N ATOM 2091 CZ ARG A 130 12.721 3.582 -13.463 1.00 2.92 C ATOM 2092 NH1 ARG A 130 13.366 2.439 -13.256 1.00 3.04 N ATOM 2093 NH2 ARG A 130 11.908 3.695 -14.504 1.00 3.83 N ATOM 0 H ARG A 130 12.743 5.027 -7.697 1.00 0.99 H new ATOM 0 HA ARG A 130 10.380 4.146 -8.990 1.00 1.14 H new ATOM 0 HB2 ARG A 130 11.237 5.270 -10.947 1.00 1.30 H new ATOM 0 HB3 ARG A 130 11.452 6.268 -9.522 1.00 1.30 H new ATOM 0 HG2 ARG A 130 13.439 6.571 -10.715 1.00 1.75 H new ATOM 0 HG3 ARG A 130 13.882 5.415 -9.474 1.00 1.75 H new ATOM 0 HD2 ARG A 130 14.782 4.812 -11.718 1.00 1.86 H new ATOM 0 HD3 ARG A 130 13.753 3.564 -11.044 1.00 1.86 H new ATOM 0 HE ARG A 130 12.448 5.501 -12.870 1.00 2.36 H new ATOM 0 HH11 ARG A 130 14.011 2.352 -12.471 1.00 3.04 H new ATOM 0 HH12 ARG A 130 13.216 1.648 -13.882 1.00 3.04 H new ATOM 0 HH21 ARG A 130 11.428 4.577 -14.683 1.00 3.83 H new ATOM 0 HH22 ARG A 130 11.763 2.900 -15.126 1.00 3.83 H new ATOM 2107 N ASN A 131 12.868 2.169 -9.227 1.00 0.85 N ATOM 2108 CA ASN A 131 13.410 0.933 -9.799 1.00 0.88 C ATOM 2109 C ASN A 131 12.316 -0.103 -10.054 1.00 1.08 C ATOM 2110 O ASN A 131 12.440 -0.933 -10.954 1.00 1.24 O ATOM 2111 CB ASN A 131 14.473 0.334 -8.872 1.00 0.88 C ATOM 2112 CG ASN A 131 15.302 -0.737 -9.555 1.00 1.70 C ATOM 2113 OD1 ASN A 131 15.514 -0.701 -10.770 1.00 2.48 O ATOM 2114 ND2 ASN A 131 15.789 -1.689 -8.780 1.00 2.04 N ATOM 0 H ASN A 131 13.335 2.469 -8.371 1.00 0.85 H new ATOM 0 HA ASN A 131 13.863 1.194 -10.756 1.00 0.88 H new ATOM 0 HB2 ASN A 131 15.131 1.128 -8.518 1.00 0.88 H new ATOM 0 HB3 ASN A 131 13.987 -0.092 -7.994 1.00 0.88 H new ATOM 0 HD21 ASN A 131 16.363 -2.430 -9.182 1.00 2.04 H new ATOM 0 HD22 ASN A 131 15.591 -1.683 -7.779 1.00 2.04 H new ATOM 2121 N GLY A 132 11.249 -0.056 -9.265 1.00 1.23 N ATOM 2122 CA GLY A 132 10.163 -0.995 -9.459 1.00 1.61 C ATOM 2123 C GLY A 132 8.835 -0.524 -8.892 1.00 1.21 C ATOM 2124 O GLY A 132 7.941 -1.335 -8.662 1.00 1.24 O ATOM 0 H GLY A 132 11.118 0.608 -8.502 1.00 1.23 H new ATOM 0 HA2 GLY A 132 10.045 -1.184 -10.526 1.00 1.61 H new ATOM 0 HA3 GLY A 132 10.429 -1.945 -8.995 1.00 1.61 H new ATOM 2128 N MET A 133 8.712 0.763 -8.583 1.00 1.24 N ATOM 2129 CA MET A 133 7.435 1.299 -8.115 1.00 1.38 C ATOM 2130 C MET A 133 6.519 1.659 -9.283 1.00 1.35 C ATOM 2131 O MET A 133 5.296 1.612 -9.161 1.00 1.56 O ATOM 2132 CB MET A 133 7.648 2.512 -7.194 1.00 2.06 C ATOM 2133 CG MET A 133 8.180 3.767 -7.882 1.00 2.92 C ATOM 2134 SD MET A 133 6.890 4.742 -8.685 1.00 3.99 S ATOM 2135 CE MET A 133 7.850 6.109 -9.330 1.00 4.83 C ATOM 0 H MET A 133 9.467 1.446 -8.646 1.00 1.24 H new ATOM 0 HA MET A 133 6.944 0.516 -7.537 1.00 1.38 H new ATOM 0 HB2 MET A 133 6.700 2.755 -6.715 1.00 2.06 H new ATOM 0 HB3 MET A 133 8.342 2.229 -6.403 1.00 2.06 H new ATOM 0 HG2 MET A 133 8.690 4.388 -7.146 1.00 2.92 H new ATOM 0 HG3 MET A 133 8.923 3.478 -8.625 1.00 2.92 H new ATOM 0 HE1 MET A 133 7.191 6.801 -9.855 1.00 4.83 H new ATOM 0 HE2 MET A 133 8.341 6.629 -8.507 1.00 4.83 H new ATOM 0 HE3 MET A 133 8.603 5.731 -10.021 1.00 4.83 H new ATOM 2145 N ASP A 134 7.132 1.973 -10.420 1.00 1.38 N ATOM 2146 CA ASP A 134 6.446 2.655 -11.520 1.00 1.84 C ATOM 2147 C ASP A 134 5.355 1.798 -12.166 1.00 1.95 C ATOM 2148 O ASP A 134 4.337 2.328 -12.619 1.00 2.41 O ATOM 2149 CB ASP A 134 7.461 3.092 -12.578 1.00 2.05 C ATOM 2150 CG ASP A 134 7.992 1.929 -13.388 1.00 2.29 C ATOM 2151 OD1 ASP A 134 8.711 1.087 -12.814 1.00 2.83 O ATOM 2152 OD2 ASP A 134 7.716 1.869 -14.600 1.00 2.28 O ATOM 0 H ASP A 134 8.113 1.765 -10.608 1.00 1.38 H new ATOM 0 HA ASP A 134 5.952 3.527 -11.092 1.00 1.84 H new ATOM 0 HB2 ASP A 134 6.994 3.814 -13.248 1.00 2.05 H new ATOM 0 HB3 ASP A 134 8.293 3.601 -12.091 1.00 2.05 H new ATOM 2157 N LYS A 135 5.557 0.493 -12.233 1.00 1.70 N ATOM 2158 CA LYS A 135 4.542 -0.388 -12.798 1.00 2.03 C ATOM 2159 C LYS A 135 3.848 -1.178 -11.699 1.00 1.70 C ATOM 2160 O LYS A 135 3.202 -2.194 -11.959 1.00 2.17 O ATOM 2161 CB LYS A 135 5.142 -1.348 -13.827 1.00 2.40 C ATOM 2162 CG LYS A 135 6.196 -2.287 -13.265 1.00 3.08 C ATOM 2163 CD LYS A 135 6.432 -3.468 -14.193 1.00 3.44 C ATOM 2164 CE LYS A 135 5.226 -4.398 -14.224 1.00 3.61 C ATOM 2165 NZ LYS A 135 5.396 -5.499 -15.208 1.00 4.15 N ATOM 0 H LYS A 135 6.402 0.022 -11.909 1.00 1.70 H new ATOM 0 HA LYS A 135 3.810 0.241 -13.305 1.00 2.03 H new ATOM 0 HB2 LYS A 135 4.339 -1.942 -14.264 1.00 2.40 H new ATOM 0 HB3 LYS A 135 5.585 -0.766 -14.635 1.00 2.40 H new ATOM 0 HG2 LYS A 135 7.130 -1.744 -13.119 1.00 3.08 H new ATOM 0 HG3 LYS A 135 5.880 -2.648 -12.286 1.00 3.08 H new ATOM 0 HD2 LYS A 135 6.641 -3.106 -15.200 1.00 3.44 H new ATOM 0 HD3 LYS A 135 7.312 -4.021 -13.864 1.00 3.44 H new ATOM 0 HE2 LYS A 135 5.068 -4.820 -13.232 1.00 3.61 H new ATOM 0 HE3 LYS A 135 4.333 -3.825 -14.472 1.00 3.61 H new ATOM 0 HZ1 LYS A 135 4.553 -6.108 -15.197 1.00 4.15 H new ATOM 0 HZ2 LYS A 135 5.521 -5.098 -16.159 1.00 4.15 H new ATOM 0 HZ3 LYS A 135 6.233 -6.062 -14.957 1.00 4.15 H new ATOM 2179 N GLY A 136 3.975 -0.706 -10.471 1.00 1.04 N ATOM 2180 CA GLY A 136 3.362 -1.397 -9.366 1.00 0.79 C ATOM 2181 C GLY A 136 2.403 -0.527 -8.589 1.00 0.65 C ATOM 2182 O GLY A 136 1.204 -0.616 -8.789 1.00 0.57 O ATOM 0 H GLY A 136 4.489 0.139 -10.223 1.00 1.04 H new ATOM 0 HA2 GLY A 136 2.830 -2.271 -9.741 1.00 0.79 H new ATOM 0 HA3 GLY A 136 4.140 -1.761 -8.695 1.00 0.79 H new ATOM 2186 N TRP A 137 2.933 0.354 -7.750 1.00 0.68 N ATOM 2187 CA TRP A 137 2.119 1.091 -6.780 1.00 0.67 C ATOM 2188 C TRP A 137 0.944 1.841 -7.437 1.00 0.57 C ATOM 2189 O TRP A 137 -0.200 1.679 -7.007 1.00 0.56 O ATOM 2190 CB TRP A 137 2.999 2.058 -5.977 1.00 0.81 C ATOM 2191 CG TRP A 137 2.266 2.783 -4.888 1.00 0.66 C ATOM 2192 CD1 TRP A 137 1.899 4.098 -4.879 1.00 1.62 C ATOM 2193 CD2 TRP A 137 1.807 2.230 -3.650 1.00 0.93 C ATOM 2194 NE1 TRP A 137 1.243 4.397 -3.709 1.00 1.62 N ATOM 2195 CE2 TRP A 137 1.174 3.266 -2.937 1.00 0.98 C ATOM 2196 CE3 TRP A 137 1.870 0.959 -3.073 1.00 2.10 C ATOM 2197 CZ2 TRP A 137 0.608 3.069 -1.679 1.00 1.47 C ATOM 2198 CZ3 TRP A 137 1.310 0.764 -1.825 1.00 2.78 C ATOM 2199 CH2 TRP A 137 0.684 1.815 -1.140 1.00 2.32 C ATOM 0 H TRP A 137 3.927 0.579 -7.719 1.00 0.68 H new ATOM 0 HA TRP A 137 1.681 0.357 -6.104 1.00 0.67 H new ATOM 0 HB2 TRP A 137 3.826 1.501 -5.537 1.00 0.81 H new ATOM 0 HB3 TRP A 137 3.434 2.789 -6.658 1.00 0.81 H new ATOM 0 HD1 TRP A 137 2.096 4.801 -5.675 1.00 1.62 H new ATOM 0 HE1 TRP A 137 0.868 5.311 -3.456 1.00 1.62 H new ATOM 0 HE3 TRP A 137 2.348 0.143 -3.594 1.00 2.10 H new ATOM 0 HZ2 TRP A 137 0.127 3.878 -1.149 1.00 1.47 H new ATOM 0 HZ3 TRP A 137 1.355 -0.214 -1.370 1.00 2.78 H new ATOM 0 HH2 TRP A 137 0.253 1.630 -0.167 1.00 2.32 H new ATOM 2210 N PRO A 138 1.183 2.662 -8.486 1.00 0.58 N ATOM 2211 CA PRO A 138 0.095 3.351 -9.194 1.00 0.61 C ATOM 2212 C PRO A 138 -0.905 2.368 -9.798 1.00 0.58 C ATOM 2213 O PRO A 138 -2.107 2.634 -9.850 1.00 0.64 O ATOM 2214 CB PRO A 138 0.810 4.139 -10.299 1.00 0.68 C ATOM 2215 CG PRO A 138 2.153 3.505 -10.425 1.00 0.66 C ATOM 2216 CD PRO A 138 2.498 3.005 -9.054 1.00 0.63 C ATOM 0 HA PRO A 138 -0.487 3.984 -8.524 1.00 0.61 H new ATOM 0 HB2 PRO A 138 0.260 4.087 -11.239 1.00 0.68 H new ATOM 0 HB3 PRO A 138 0.895 5.194 -10.038 1.00 0.68 H new ATOM 0 HG2 PRO A 138 2.134 2.688 -11.146 1.00 0.66 H new ATOM 0 HG3 PRO A 138 2.893 4.223 -10.777 1.00 0.66 H new ATOM 0 HD2 PRO A 138 3.158 2.139 -9.095 1.00 0.63 H new ATOM 0 HD3 PRO A 138 3.007 3.766 -8.463 1.00 0.63 H new ATOM 2224 N THR A 139 -0.398 1.218 -10.220 1.00 0.57 N ATOM 2225 CA THR A 139 -1.219 0.195 -10.837 1.00 0.62 C ATOM 2226 C THR A 139 -2.026 -0.550 -9.774 1.00 0.54 C ATOM 2227 O THR A 139 -3.166 -0.962 -10.014 1.00 0.55 O ATOM 2228 CB THR A 139 -0.339 -0.785 -11.632 1.00 0.72 C ATOM 2229 OG1 THR A 139 0.498 -0.041 -12.528 1.00 0.81 O ATOM 2230 CG2 THR A 139 -1.181 -1.774 -12.423 1.00 0.87 C ATOM 0 H THR A 139 0.589 0.972 -10.143 1.00 0.57 H new ATOM 0 HA THR A 139 -1.915 0.673 -11.526 1.00 0.62 H new ATOM 0 HB THR A 139 0.269 -1.352 -10.927 1.00 0.72 H new ATOM 0 HG1 THR A 139 1.063 -0.659 -13.037 1.00 0.81 H new ATOM 0 HG21 THR A 139 -0.527 -2.451 -12.972 1.00 0.87 H new ATOM 0 HG22 THR A 139 -1.806 -2.349 -11.739 1.00 0.87 H new ATOM 0 HG23 THR A 139 -1.815 -1.232 -13.125 1.00 0.87 H new ATOM 2238 N ILE A 140 -1.432 -0.699 -8.587 1.00 0.50 N ATOM 2239 CA ILE A 140 -2.137 -1.264 -7.444 1.00 0.47 C ATOM 2240 C ILE A 140 -3.403 -0.462 -7.212 1.00 0.42 C ATOM 2241 O ILE A 140 -4.487 -1.019 -7.103 1.00 0.44 O ATOM 2242 CB ILE A 140 -1.295 -1.249 -6.134 1.00 0.51 C ATOM 2243 CG1 ILE A 140 -0.150 -2.282 -6.133 1.00 0.54 C ATOM 2244 CG2 ILE A 140 -2.195 -1.512 -4.931 1.00 0.54 C ATOM 2245 CD1 ILE A 140 0.104 -2.976 -7.448 1.00 0.72 C ATOM 0 H ILE A 140 -0.465 -0.435 -8.397 1.00 0.50 H new ATOM 0 HA ILE A 140 -2.351 -2.307 -7.680 1.00 0.47 H new ATOM 0 HB ILE A 140 -0.844 -0.259 -6.074 1.00 0.51 H new ATOM 0 HG12 ILE A 140 0.767 -1.780 -5.824 1.00 0.54 H new ATOM 0 HG13 ILE A 140 -0.368 -3.039 -5.380 1.00 0.54 H new ATOM 0 HG21 ILE A 140 -1.597 -1.500 -4.020 1.00 0.54 H new ATOM 0 HG22 ILE A 140 -2.961 -0.738 -4.873 1.00 0.54 H new ATOM 0 HG23 ILE A 140 -2.671 -2.486 -5.039 1.00 0.54 H new ATOM 0 HD11 ILE A 140 0.928 -3.680 -7.335 1.00 0.72 H new ATOM 0 HD12 ILE A 140 -0.793 -3.514 -7.755 1.00 0.72 H new ATOM 0 HD13 ILE A 140 0.360 -2.236 -8.206 1.00 0.72 H new ATOM 2257 N LEU A 141 -3.244 0.860 -7.200 1.00 0.39 N ATOM 2258 CA LEU A 141 -4.345 1.781 -6.931 1.00 0.36 C ATOM 2259 C LEU A 141 -5.470 1.642 -7.954 1.00 0.38 C ATOM 2260 O LEU A 141 -6.632 1.915 -7.646 1.00 0.42 O ATOM 2261 CB LEU A 141 -3.844 3.225 -6.929 1.00 0.38 C ATOM 2262 CG LEU A 141 -2.707 3.530 -5.952 1.00 0.43 C ATOM 2263 CD1 LEU A 141 -2.434 5.029 -5.923 1.00 0.69 C ATOM 2264 CD2 LEU A 141 -3.036 3.002 -4.559 1.00 0.56 C ATOM 0 H LEU A 141 -2.351 1.321 -7.376 1.00 0.39 H new ATOM 0 HA LEU A 141 -4.742 1.524 -5.949 1.00 0.36 H new ATOM 0 HB2 LEU A 141 -3.511 3.476 -7.936 1.00 0.38 H new ATOM 0 HB3 LEU A 141 -4.683 3.881 -6.698 1.00 0.38 H new ATOM 0 HG LEU A 141 -1.804 3.023 -6.292 1.00 0.43 H new ATOM 0 HD11 LEU A 141 -1.623 5.238 -5.225 1.00 0.69 H new ATOM 0 HD12 LEU A 141 -2.151 5.367 -6.920 1.00 0.69 H new ATOM 0 HD13 LEU A 141 -3.333 5.556 -5.603 1.00 0.69 H new ATOM 0 HD21 LEU A 141 -2.214 3.230 -3.880 1.00 0.56 H new ATOM 0 HD22 LEU A 141 -3.948 3.476 -4.196 1.00 0.56 H new ATOM 0 HD23 LEU A 141 -3.181 1.923 -4.604 1.00 0.56 H new ATOM 2276 N GLN A 142 -5.128 1.230 -9.165 1.00 0.43 N ATOM 2277 CA GLN A 142 -6.119 1.078 -10.220 1.00 0.48 C ATOM 2278 C GLN A 142 -6.997 -0.134 -9.944 1.00 0.47 C ATOM 2279 O GLN A 142 -8.218 -0.013 -9.827 1.00 0.48 O ATOM 2280 CB GLN A 142 -5.444 0.934 -11.588 1.00 0.58 C ATOM 2281 CG GLN A 142 -4.485 2.063 -11.937 1.00 0.88 C ATOM 2282 CD GLN A 142 -5.153 3.425 -11.939 1.00 0.78 C ATOM 2283 OE1 GLN A 142 -5.682 3.871 -12.956 1.00 1.49 O ATOM 2284 NE2 GLN A 142 -5.117 4.101 -10.801 1.00 0.77 N ATOM 0 H GLN A 142 -4.175 0.995 -9.442 1.00 0.43 H new ATOM 0 HA GLN A 142 -6.740 1.974 -10.235 1.00 0.48 H new ATOM 0 HB2 GLN A 142 -4.900 -0.010 -11.614 1.00 0.58 H new ATOM 0 HB3 GLN A 142 -6.215 0.878 -12.356 1.00 0.58 H new ATOM 0 HG2 GLN A 142 -3.662 2.068 -11.222 1.00 0.88 H new ATOM 0 HG3 GLN A 142 -4.052 1.875 -12.919 1.00 0.88 H new ATOM 0 HE21 GLN A 142 -4.668 3.694 -9.980 1.00 0.77 H new ATOM 0 HE22 GLN A 142 -5.538 5.028 -10.745 1.00 0.77 H new ATOM 2293 N SER A 143 -6.367 -1.295 -9.815 1.00 0.49 N ATOM 2294 CA SER A 143 -7.092 -2.527 -9.536 1.00 0.53 C ATOM 2295 C SER A 143 -7.697 -2.487 -8.131 1.00 0.45 C ATOM 2296 O SER A 143 -8.699 -3.147 -7.850 1.00 0.46 O ATOM 2297 CB SER A 143 -6.150 -3.716 -9.680 1.00 0.64 C ATOM 2298 OG SER A 143 -5.409 -3.627 -10.884 1.00 1.15 O ATOM 0 H SER A 143 -5.357 -1.409 -9.899 1.00 0.49 H new ATOM 0 HA SER A 143 -7.908 -2.631 -10.251 1.00 0.53 H new ATOM 0 HB2 SER A 143 -5.469 -3.751 -8.830 1.00 0.64 H new ATOM 0 HB3 SER A 143 -6.723 -4.643 -9.668 1.00 0.64 H new ATOM 0 HG SER A 143 -4.809 -4.399 -10.957 1.00 1.15 H new ATOM 2304 N PHE A 144 -7.071 -1.701 -7.263 1.00 0.40 N ATOM 2305 CA PHE A 144 -7.577 -1.447 -5.920 1.00 0.36 C ATOM 2306 C PHE A 144 -8.982 -0.853 -5.996 1.00 0.32 C ATOM 2307 O PHE A 144 -9.934 -1.404 -5.447 1.00 0.34 O ATOM 2308 CB PHE A 144 -6.619 -0.475 -5.212 1.00 0.35 C ATOM 2309 CG PHE A 144 -7.092 0.070 -3.893 1.00 0.39 C ATOM 2310 CD1 PHE A 144 -6.886 -0.632 -2.720 1.00 0.62 C ATOM 2311 CD2 PHE A 144 -7.720 1.305 -3.829 1.00 0.51 C ATOM 2312 CE1 PHE A 144 -7.301 -0.117 -1.508 1.00 0.80 C ATOM 2313 CE2 PHE A 144 -8.140 1.822 -2.620 1.00 0.68 C ATOM 2314 CZ PHE A 144 -7.929 1.111 -1.458 1.00 0.78 C ATOM 0 H PHE A 144 -6.196 -1.221 -7.472 1.00 0.40 H new ATOM 0 HA PHE A 144 -7.632 -2.379 -5.358 1.00 0.36 H new ATOM 0 HB2 PHE A 144 -5.668 -0.984 -5.053 1.00 0.35 H new ATOM 0 HB3 PHE A 144 -6.424 0.363 -5.880 1.00 0.35 H new ATOM 0 HD1 PHE A 144 -6.395 -1.594 -2.752 1.00 0.62 H new ATOM 0 HD2 PHE A 144 -7.882 1.869 -4.736 1.00 0.51 H new ATOM 0 HE1 PHE A 144 -7.134 -0.675 -0.599 1.00 0.80 H new ATOM 0 HE2 PHE A 144 -8.633 2.782 -2.584 1.00 0.68 H new ATOM 0 HZ PHE A 144 -8.254 1.514 -0.510 1.00 0.78 H new ATOM 2324 N GLN A 145 -9.105 0.246 -6.731 1.00 0.29 N ATOM 2325 CA GLN A 145 -10.384 0.920 -6.902 1.00 0.31 C ATOM 2326 C GLN A 145 -11.337 0.075 -7.735 1.00 0.35 C ATOM 2327 O GLN A 145 -12.554 0.211 -7.622 1.00 0.42 O ATOM 2328 CB GLN A 145 -10.182 2.279 -7.569 1.00 0.33 C ATOM 2329 CG GLN A 145 -9.489 3.294 -6.680 1.00 0.41 C ATOM 2330 CD GLN A 145 -9.047 4.528 -7.442 1.00 0.74 C ATOM 2331 OE1 GLN A 145 -9.789 5.502 -7.564 1.00 1.63 O ATOM 2332 NE2 GLN A 145 -7.829 4.495 -7.955 1.00 0.66 N ATOM 0 H GLN A 145 -8.328 0.691 -7.220 1.00 0.29 H new ATOM 0 HA GLN A 145 -10.822 1.066 -5.915 1.00 0.31 H new ATOM 0 HB2 GLN A 145 -9.596 2.145 -8.478 1.00 0.33 H new ATOM 0 HB3 GLN A 145 -11.152 2.674 -7.870 1.00 0.33 H new ATOM 0 HG2 GLN A 145 -10.164 3.589 -5.877 1.00 0.41 H new ATOM 0 HG3 GLN A 145 -8.621 2.830 -6.212 1.00 0.41 H new ATOM 0 HE21 GLN A 145 -7.246 3.668 -7.831 1.00 0.66 H new ATOM 0 HE22 GLN A 145 -7.473 5.297 -8.475 1.00 0.66 H new ATOM 2341 N ASP A 146 -10.783 -0.804 -8.563 1.00 0.36 N ATOM 2342 CA ASP A 146 -11.597 -1.615 -9.456 1.00 0.43 C ATOM 2343 C ASP A 146 -12.303 -2.739 -8.706 1.00 0.40 C ATOM 2344 O ASP A 146 -13.495 -2.965 -8.911 1.00 0.44 O ATOM 2345 CB ASP A 146 -10.766 -2.189 -10.600 1.00 0.55 C ATOM 2346 CG ASP A 146 -11.640 -2.801 -11.676 1.00 0.91 C ATOM 2347 OD1 ASP A 146 -12.413 -2.048 -12.312 1.00 1.04 O ATOM 2348 OD2 ASP A 146 -11.552 -4.026 -11.899 1.00 1.46 O ATOM 0 H ASP A 146 -9.779 -0.971 -8.633 1.00 0.36 H new ATOM 0 HA ASP A 146 -12.356 -0.956 -9.878 1.00 0.43 H new ATOM 0 HB2 ASP A 146 -10.152 -1.400 -11.035 1.00 0.55 H new ATOM 0 HB3 ASP A 146 -10.085 -2.946 -10.211 1.00 0.55 H new ATOM 2353 N LYS A 147 -11.595 -3.451 -7.831 1.00 0.42 N ATOM 2354 CA LYS A 147 -12.254 -4.477 -7.038 1.00 0.51 C ATOM 2355 C LYS A 147 -13.182 -3.835 -6.008 1.00 0.48 C ATOM 2356 O LYS A 147 -14.212 -4.401 -5.658 1.00 0.58 O ATOM 2357 CB LYS A 147 -11.263 -5.413 -6.342 1.00 0.64 C ATOM 2358 CG LYS A 147 -11.965 -6.518 -5.569 1.00 0.92 C ATOM 2359 CD LYS A 147 -12.789 -7.404 -6.491 1.00 1.03 C ATOM 2360 CE LYS A 147 -13.903 -8.115 -5.740 1.00 1.25 C ATOM 2361 NZ LYS A 147 -13.392 -8.934 -4.611 1.00 1.74 N ATOM 0 H LYS A 147 -10.596 -3.340 -7.659 1.00 0.42 H new ATOM 0 HA LYS A 147 -12.838 -5.085 -7.729 1.00 0.51 H new ATOM 0 HB2 LYS A 147 -10.600 -5.856 -7.085 1.00 0.64 H new ATOM 0 HB3 LYS A 147 -10.637 -4.836 -5.661 1.00 0.64 H new ATOM 0 HG2 LYS A 147 -11.226 -7.124 -5.045 1.00 0.92 H new ATOM 0 HG3 LYS A 147 -12.612 -6.078 -4.810 1.00 0.92 H new ATOM 0 HD2 LYS A 147 -13.217 -6.799 -7.290 1.00 1.03 H new ATOM 0 HD3 LYS A 147 -12.140 -8.142 -6.963 1.00 1.03 H new ATOM 0 HE2 LYS A 147 -14.609 -7.377 -5.359 1.00 1.25 H new ATOM 0 HE3 LYS A 147 -14.452 -8.755 -6.431 1.00 1.25 H new ATOM 0 HZ1 LYS A 147 -14.031 -9.738 -4.448 1.00 1.74 H new ATOM 0 HZ2 LYS A 147 -12.442 -9.288 -4.841 1.00 1.74 H new ATOM 0 HZ3 LYS A 147 -13.345 -8.350 -3.752 1.00 1.74 H new ATOM 2375 N ILE A 148 -12.822 -2.649 -5.533 1.00 0.39 N ATOM 2376 CA ILE A 148 -13.705 -1.893 -4.653 1.00 0.40 C ATOM 2377 C ILE A 148 -14.978 -1.528 -5.398 1.00 0.42 C ATOM 2378 O ILE A 148 -16.075 -1.545 -4.842 1.00 0.50 O ATOM 2379 CB ILE A 148 -13.032 -0.611 -4.128 1.00 0.35 C ATOM 2380 CG1 ILE A 148 -11.940 -0.969 -3.122 1.00 0.38 C ATOM 2381 CG2 ILE A 148 -14.061 0.318 -3.499 1.00 0.46 C ATOM 2382 CD1 ILE A 148 -11.212 0.228 -2.558 1.00 0.37 C ATOM 0 H ILE A 148 -11.933 -2.193 -5.740 1.00 0.39 H new ATOM 0 HA ILE A 148 -13.938 -2.524 -3.795 1.00 0.40 H new ATOM 0 HB ILE A 148 -12.575 -0.087 -4.967 1.00 0.35 H new ATOM 0 HG12 ILE A 148 -12.386 -1.531 -2.301 1.00 0.38 H new ATOM 0 HG13 ILE A 148 -11.217 -1.628 -3.604 1.00 0.38 H new ATOM 0 HG21 ILE A 148 -13.565 1.217 -3.135 1.00 0.46 H new ATOM 0 HG22 ILE A 148 -14.807 0.592 -4.244 1.00 0.46 H new ATOM 0 HG23 ILE A 148 -14.549 -0.190 -2.667 1.00 0.46 H new ATOM 0 HD11 ILE A 148 -10.453 -0.108 -1.852 1.00 0.37 H new ATOM 0 HD12 ILE A 148 -10.736 0.779 -3.369 1.00 0.37 H new ATOM 0 HD13 ILE A 148 -11.922 0.877 -2.046 1.00 0.37 H new ATOM 2394 N ASP A 149 -14.814 -1.216 -6.673 1.00 0.41 N ATOM 2395 CA ASP A 149 -15.936 -0.924 -7.548 1.00 0.49 C ATOM 2396 C ASP A 149 -16.869 -2.131 -7.600 1.00 0.55 C ATOM 2397 O ASP A 149 -18.090 -1.987 -7.600 1.00 0.64 O ATOM 2398 CB ASP A 149 -15.420 -0.575 -8.945 1.00 0.54 C ATOM 2399 CG ASP A 149 -16.449 0.121 -9.801 1.00 0.65 C ATOM 2400 OD1 ASP A 149 -16.706 1.317 -9.579 1.00 0.85 O ATOM 2401 OD2 ASP A 149 -17.024 -0.536 -10.694 1.00 0.77 O ATOM 0 H ASP A 149 -13.903 -1.158 -7.129 1.00 0.41 H new ATOM 0 HA ASP A 149 -16.493 -0.070 -7.162 1.00 0.49 H new ATOM 0 HB2 ASP A 149 -14.542 0.064 -8.852 1.00 0.54 H new ATOM 0 HB3 ASP A 149 -15.098 -1.488 -9.445 1.00 0.54 H new ATOM 2406 N GLU A 150 -16.269 -3.322 -7.580 1.00 0.57 N ATOM 2407 CA GLU A 150 -17.006 -4.584 -7.565 1.00 0.68 C ATOM 2408 C GLU A 150 -17.824 -4.711 -6.295 1.00 0.75 C ATOM 2409 O GLU A 150 -18.973 -5.149 -6.315 1.00 0.89 O ATOM 2410 CB GLU A 150 -16.031 -5.761 -7.644 1.00 0.76 C ATOM 2411 CG GLU A 150 -15.701 -6.195 -9.053 1.00 0.78 C ATOM 2412 CD GLU A 150 -16.833 -6.990 -9.671 1.00 1.10 C ATOM 2413 OE1 GLU A 150 -17.850 -6.377 -10.060 1.00 1.45 O ATOM 2414 OE2 GLU A 150 -16.698 -8.220 -9.814 1.00 1.50 O ATOM 0 H GLU A 150 -15.256 -3.438 -7.574 1.00 0.57 H new ATOM 0 HA GLU A 150 -17.674 -4.596 -8.426 1.00 0.68 H new ATOM 0 HB2 GLU A 150 -15.107 -5.489 -7.133 1.00 0.76 H new ATOM 0 HB3 GLU A 150 -16.456 -6.608 -7.105 1.00 0.76 H new ATOM 0 HG2 GLU A 150 -15.495 -5.317 -9.666 1.00 0.78 H new ATOM 0 HG3 GLU A 150 -14.793 -6.799 -9.045 1.00 0.78 H new ATOM 2421 N GLU A 151 -17.214 -4.303 -5.198 1.00 0.72 N ATOM 2422 CA GLU A 151 -17.812 -4.431 -3.881 1.00 0.84 C ATOM 2423 C GLU A 151 -18.887 -3.371 -3.697 1.00 0.88 C ATOM 2424 O GLU A 151 -19.727 -3.458 -2.798 1.00 1.06 O ATOM 2425 CB GLU A 151 -16.736 -4.274 -2.801 1.00 0.86 C ATOM 2426 CG GLU A 151 -15.544 -5.207 -2.966 1.00 0.95 C ATOM 2427 CD GLU A 151 -15.896 -6.673 -2.801 1.00 1.39 C ATOM 2428 OE1 GLU A 151 -16.486 -7.259 -3.733 1.00 1.74 O ATOM 2429 OE2 GLU A 151 -15.558 -7.255 -1.749 1.00 1.63 O ATOM 0 H GLU A 151 -16.289 -3.873 -5.194 1.00 0.72 H new ATOM 0 HA GLU A 151 -18.265 -5.418 -3.791 1.00 0.84 H new ATOM 0 HB2 GLU A 151 -16.380 -3.244 -2.806 1.00 0.86 H new ATOM 0 HB3 GLU A 151 -17.188 -4.450 -1.825 1.00 0.86 H new ATOM 0 HG2 GLU A 151 -15.108 -5.055 -3.953 1.00 0.95 H new ATOM 0 HG3 GLU A 151 -14.780 -4.940 -2.236 1.00 0.95 H new ATOM 2436 N GLY A 152 -18.853 -2.372 -4.563 1.00 0.84 N ATOM 2437 CA GLY A 152 -19.776 -1.274 -4.463 1.00 0.96 C ATOM 2438 C GLY A 152 -20.916 -1.360 -5.455 1.00 1.04 C ATOM 2439 O GLY A 152 -22.036 -1.718 -5.088 1.00 1.32 O ATOM 0 H GLY A 152 -18.194 -2.306 -5.339 1.00 0.84 H new ATOM 0 HA2 GLY A 152 -20.184 -1.242 -3.453 1.00 0.96 H new ATOM 0 HA3 GLY A 152 -19.237 -0.340 -4.619 1.00 0.96 H new ATOM 2443 N ALA A 153 -20.639 -1.050 -6.716 1.00 1.14 N ATOM 2444 CA ALA A 153 -21.708 -0.885 -7.690 1.00 1.47 C ATOM 2445 C ALA A 153 -21.335 -1.383 -9.087 1.00 1.29 C ATOM 2446 O ALA A 153 -22.037 -1.088 -10.055 1.00 1.70 O ATOM 2447 CB ALA A 153 -22.107 0.578 -7.746 1.00 1.92 C ATOM 0 H ALA A 153 -19.698 -0.910 -7.083 1.00 1.14 H new ATOM 0 HA ALA A 153 -22.546 -1.500 -7.361 1.00 1.47 H new ATOM 0 HB1 ALA A 153 -22.908 0.709 -8.474 1.00 1.92 H new ATOM 0 HB2 ALA A 153 -22.454 0.898 -6.764 1.00 1.92 H new ATOM 0 HB3 ALA A 153 -21.247 1.179 -8.041 1.00 1.92 H new ATOM 2453 N LYS A 154 -20.248 -2.138 -9.209 1.00 1.09 N ATOM 2454 CA LYS A 154 -19.885 -2.700 -10.506 1.00 1.02 C ATOM 2455 C LYS A 154 -20.870 -3.808 -10.865 1.00 1.38 C ATOM 2456 O LYS A 154 -21.294 -3.934 -12.014 1.00 2.04 O ATOM 2457 CB LYS A 154 -18.453 -3.247 -10.509 1.00 0.91 C ATOM 2458 CG LYS A 154 -17.928 -3.539 -11.909 1.00 1.02 C ATOM 2459 CD LYS A 154 -16.579 -4.240 -11.887 1.00 0.95 C ATOM 2460 CE LYS A 154 -15.462 -3.333 -11.396 1.00 0.73 C ATOM 2461 NZ LYS A 154 -15.180 -2.218 -12.340 1.00 1.32 N ATOM 0 H LYS A 154 -19.615 -2.372 -8.444 1.00 1.09 H new ATOM 0 HA LYS A 154 -19.930 -1.904 -11.249 1.00 1.02 H new ATOM 0 HB2 LYS A 154 -17.794 -2.527 -10.023 1.00 0.91 H new ATOM 0 HB3 LYS A 154 -18.418 -4.161 -9.916 1.00 0.91 H new ATOM 0 HG2 LYS A 154 -18.648 -4.159 -12.442 1.00 1.02 H new ATOM 0 HG3 LYS A 154 -17.840 -2.605 -12.463 1.00 1.02 H new ATOM 0 HD2 LYS A 154 -16.639 -5.118 -11.244 1.00 0.95 H new ATOM 0 HD3 LYS A 154 -16.341 -4.595 -12.890 1.00 0.95 H new ATOM 0 HE2 LYS A 154 -15.732 -2.922 -10.423 1.00 0.73 H new ATOM 0 HE3 LYS A 154 -14.556 -3.922 -11.253 1.00 0.73 H new ATOM 0 HZ1 LYS A 154 -14.155 -2.043 -12.374 1.00 1.32 H new ATOM 0 HZ2 LYS A 154 -15.519 -2.473 -13.290 1.00 1.32 H new ATOM 0 HZ3 LYS A 154 -15.668 -1.358 -12.017 1.00 1.32 H new ATOM 2475 N LYS A 155 -21.239 -4.591 -9.860 1.00 1.82 N ATOM 2476 CA LYS A 155 -22.231 -5.639 -10.025 1.00 2.44 C ATOM 2477 C LYS A 155 -23.607 -5.129 -9.599 1.00 3.14 C ATOM 2478 O LYS A 155 -24.439 -4.844 -10.485 1.00 3.71 O ATOM 2479 CB LYS A 155 -21.831 -6.891 -9.228 1.00 2.82 C ATOM 2480 CG LYS A 155 -21.540 -6.628 -7.757 1.00 2.95 C ATOM 2481 CD LYS A 155 -20.995 -7.860 -7.046 1.00 3.46 C ATOM 2482 CE LYS A 155 -19.521 -8.097 -7.355 1.00 3.45 C ATOM 2483 NZ LYS A 155 -19.291 -8.564 -8.750 1.00 4.22 N ATOM 2484 OXT LYS A 155 -23.842 -4.965 -8.381 1.00 3.60 O ATOM 0 H LYS A 155 -20.861 -4.517 -8.915 1.00 1.82 H new ATOM 0 HA LYS A 155 -22.280 -5.917 -11.078 1.00 2.44 H new ATOM 0 HB2 LYS A 155 -22.632 -7.627 -9.302 1.00 2.82 H new ATOM 0 HB3 LYS A 155 -20.948 -7.334 -9.688 1.00 2.82 H new ATOM 0 HG2 LYS A 155 -20.820 -5.814 -7.671 1.00 2.95 H new ATOM 0 HG3 LYS A 155 -22.454 -6.300 -7.261 1.00 2.95 H new ATOM 0 HD2 LYS A 155 -21.125 -7.744 -5.970 1.00 3.46 H new ATOM 0 HD3 LYS A 155 -21.572 -8.735 -7.344 1.00 3.46 H new ATOM 0 HE2 LYS A 155 -18.967 -7.173 -7.190 1.00 3.45 H new ATOM 0 HE3 LYS A 155 -19.123 -8.836 -6.659 1.00 3.45 H new ATOM 0 HZ1 LYS A 155 -18.436 -9.155 -8.782 1.00 4.22 H new ATOM 0 HZ2 LYS A 155 -20.109 -9.121 -9.069 1.00 4.22 H new ATOM 0 HZ3 LYS A 155 -19.167 -7.742 -9.375 1.00 4.22 H new