USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 704 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 69 THR OG1 : rot 180:sc= -0.0108 USER MOD Set 1.2: A 72 MET CE :methyl -160:sc= -0.332 (180deg=-1.04) USER MOD Set 2.1: A 62 MET CE :methyl -168:sc= -0.0735 (180deg=-0.339) USER MOD Set 2.2: A 66 GLN :FLIP amide:sc= 0 F(o=-0.71,f=-0.074) USER MOD Set 3.1: A 36 GLN : amide:sc= 0 X(o=0.05,f=-0.21) USER MOD Set 3.2: A 43 THR OG1 : rot -39:sc= 0.0504 USER MOD Single : A 1 GLY N :NH3+ -117:sc= 0.114 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.00161 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.00908 USER MOD Single : A 8 ASN : amide:sc= -0.604 K(o=-0.6,f=-5.4!) USER MOD Single : A 9 ASN : amide:sc= 0.636 K(o=0.64,f=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 16 GLN : amide:sc= -0.218 X(o=-0.22,f=-0.42) USER MOD Single : A 18 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0086) USER MOD Single : A 19 GLN : amide:sc= 0.67 K(o=0.67,f=-0.044) USER MOD Single : A 20 ASN : amide:sc= -0.348 X(o=-0.35,f=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -155:sc= 0.917 (180deg=0.547) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 GLN : amide:sc= -0.315 X(o=-0.32,f=-0.25) USER MOD Single : A 54 ASN : amide:sc= 0.0199 X(o=0.02,f=-0.044) USER MOD Single : A 56 GLN : amide:sc= -0.0501 X(o=-0.05,f=0) USER MOD Single : A 61 SER OG : rot 82:sc= 0.247 USER MOD Single : A 64 LYS NZ :NH3+ -136:sc= 2.24 (180deg=0.28) USER MOD Single : A 65 LYS NZ :NH3+ -163:sc= 1.22 (180deg=0.99) USER MOD Single : A 68 THR OG1 : rot 67:sc= 1.21 USER MOD Single : A 74 THR OG1 : rot 30:sc= 0.251 USER MOD Single : A 77 GLN :FLIP amide:sc= -0.48 F(o=-5.3!,f=-0.48) USER MOD Single : A 80 TYR OH : rot 180:sc= 0.5 USER MOD Single : A 82 GLN : amide:sc= 0.188 X(o=0.19,f=-0.004) USER MOD Single : A 84 GLN : amide:sc= -2.46 X(o=-2.5,f=-2.7) USER MOD Single : A 85 GLN : amide:sc= -0.303 X(o=-0.3,f=-0.8) USER MOD Single : A 87 ASN : amide:sc= -0.618 K(o=-0.62,f=-3.1!) USER MOD Single : A 89 ASN : amide:sc= -0.0457 K(o=-0.046,f=-0.69) USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.0165 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0218) USER MOD Single : A 102 LYS NZ :NH3+ 160:sc= -0.0753 (180deg=-0.387) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.646 12.561 3.233 1.00 45.45 N ATOM 2 CA GLY A 1 -20.924 12.499 4.678 1.00 50.54 C ATOM 3 C GLY A 1 -19.642 12.240 5.456 1.00 34.10 C ATOM 4 O GLY A 1 -18.612 11.932 4.857 1.00 23.30 O ATOM 0 H1 GLY A 1 -20.876 13.510 2.876 1.00 45.45 H new ATOM 0 H2 GLY A 1 -19.639 12.362 3.064 1.00 45.45 H new ATOM 0 H3 GLY A 1 -21.226 11.854 2.737 1.00 45.45 H new ATOM 0 HA2 GLY A 1 -21.374 13.435 5.008 1.00 50.54 H new ATOM 0 HA3 GLY A 1 -21.646 11.709 4.882 1.00 50.54 H new ATOM 8 N THR A 2 -19.645 12.441 6.776 1.00 51.55 N ATOM 9 CA THR A 2 -18.474 13.047 7.415 1.00 74.43 C ATOM 10 C THR A 2 -18.055 12.409 8.747 1.00 32.31 C ATOM 11 O THR A 2 -17.015 12.786 9.290 1.00 54.14 O ATOM 12 CB THR A 2 -18.741 14.563 7.527 1.00 22.20 C ATOM 13 OG1 THR A 2 -20.104 14.827 7.827 1.00 45.22 O ATOM 14 CG2 THR A 2 -18.441 15.271 6.204 1.00 64.13 C ATOM 0 H THR A 2 -20.413 12.204 7.403 1.00 51.55 H new ATOM 0 HA THR A 2 -17.603 12.856 6.787 1.00 74.43 H new ATOM 0 HB THR A 2 -18.093 14.929 8.323 1.00 22.20 H new ATOM 0 HG1 THR A 2 -20.243 15.795 7.894 1.00 45.22 H new ATOM 0 HG21 THR A 2 -18.637 16.338 6.310 1.00 64.13 H new ATOM 0 HG22 THR A 2 -17.395 15.119 5.939 1.00 64.13 H new ATOM 0 HG23 THR A 2 -19.077 14.861 5.420 1.00 64.13 H new ATOM 22 N ASP A 3 -18.765 11.402 9.261 1.00 34.24 N ATOM 23 CA ASP A 3 -18.445 10.768 10.553 1.00 73.31 C ATOM 24 C ASP A 3 -18.662 9.248 10.459 1.00 64.01 C ATOM 25 O ASP A 3 -18.875 8.720 9.360 1.00 70.24 O ATOM 26 CB ASP A 3 -19.270 11.447 11.666 1.00 71.45 C ATOM 27 CG ASP A 3 -18.572 11.477 13.030 1.00 52.54 C ATOM 28 OD1 ASP A 3 -18.209 10.409 13.559 1.00 24.41 O ATOM 29 OD2 ASP A 3 -18.383 12.588 13.584 1.00 32.12 O ATOM 0 H ASP A 3 -19.579 10.999 8.797 1.00 34.24 H new ATOM 0 HA ASP A 3 -17.394 10.907 10.807 1.00 73.31 H new ATOM 0 HB2 ASP A 3 -19.497 12.469 11.363 1.00 71.45 H new ATOM 0 HB3 ASP A 3 -20.222 10.926 11.768 1.00 71.45 H new ATOM 33 N PHE A 4 -18.573 8.543 11.583 1.00 22.24 N ATOM 34 CA PHE A 4 -18.840 7.125 11.798 1.00 45.43 C ATOM 35 C PHE A 4 -20.010 6.989 12.781 1.00 62.24 C ATOM 36 O PHE A 4 -20.613 7.988 13.178 1.00 44.34 O ATOM 37 CB PHE A 4 -17.553 6.432 12.304 1.00 64.15 C ATOM 38 CG PHE A 4 -16.916 5.520 11.273 1.00 1.21 C ATOM 39 CD1 PHE A 4 -16.581 6.025 10.001 1.00 33.43 C ATOM 40 CD2 PHE A 4 -16.689 4.161 11.567 1.00 22.14 C ATOM 41 CE1 PHE A 4 -16.057 5.170 9.018 1.00 72.05 C ATOM 42 CE2 PHE A 4 -16.154 3.310 10.585 1.00 74.15 C ATOM 43 CZ PHE A 4 -15.846 3.813 9.310 1.00 2.20 C ATOM 0 H PHE A 4 -18.284 8.995 12.450 1.00 22.24 H new ATOM 0 HA PHE A 4 -19.126 6.632 10.869 1.00 45.43 H new ATOM 0 HB2 PHE A 4 -16.831 7.193 12.600 1.00 64.15 H new ATOM 0 HB3 PHE A 4 -17.788 5.852 13.196 1.00 64.15 H new ATOM 0 HD1 PHE A 4 -16.728 7.072 9.781 1.00 33.43 H new ATOM 0 HD2 PHE A 4 -16.926 3.773 12.547 1.00 22.14 H new ATOM 0 HE1 PHE A 4 -15.817 5.556 8.038 1.00 72.05 H new ATOM 0 HE2 PHE A 4 -15.979 2.268 10.811 1.00 74.15 H new ATOM 0 HZ PHE A 4 -15.446 3.155 8.553 1.00 2.20 H new ATOM 52 N GLY A 5 -20.356 5.755 13.158 1.00 2.10 N ATOM 53 CA GLY A 5 -21.355 5.477 14.177 1.00 3.31 C ATOM 54 C GLY A 5 -21.958 4.104 13.934 1.00 70.01 C ATOM 55 O GLY A 5 -21.394 3.093 14.345 1.00 45.15 O ATOM 0 H GLY A 5 -19.941 4.915 12.755 1.00 2.10 H new ATOM 0 HA2 GLY A 5 -20.901 5.516 15.167 1.00 3.31 H new ATOM 0 HA3 GLY A 5 -22.135 6.238 14.154 1.00 3.31 H new ATOM 59 N THR A 6 -23.078 4.046 13.223 1.00 3.52 N ATOM 60 CA THR A 6 -23.914 2.855 13.050 1.00 34.30 C ATOM 61 C THR A 6 -23.938 2.367 11.594 1.00 3.50 C ATOM 62 O THR A 6 -24.685 1.453 11.238 1.00 1.13 O ATOM 63 CB THR A 6 -25.320 3.198 13.566 1.00 5.24 C ATOM 64 OG1 THR A 6 -25.737 4.424 12.997 1.00 1.33 O ATOM 65 CG2 THR A 6 -25.324 3.343 15.090 1.00 1.30 C ATOM 0 H THR A 6 -23.447 4.859 12.729 1.00 3.52 H new ATOM 0 HA THR A 6 -23.498 2.025 13.621 1.00 34.30 H new ATOM 0 HB THR A 6 -25.996 2.390 13.284 1.00 5.24 H new ATOM 0 HG1 THR A 6 -26.634 4.647 13.322 1.00 1.33 H new ATOM 0 HG21 THR A 6 -26.331 3.586 15.430 1.00 1.30 H new ATOM 0 HG22 THR A 6 -25.003 2.406 15.545 1.00 1.30 H new ATOM 0 HG23 THR A 6 -24.641 4.141 15.381 1.00 1.30 H new ATOM 73 N THR A 7 -23.143 2.988 10.728 1.00 42.55 N ATOM 74 CA THR A 7 -23.388 3.016 9.295 1.00 32.03 C ATOM 75 C THR A 7 -23.015 1.697 8.595 1.00 30.14 C ATOM 76 O THR A 7 -23.271 1.553 7.400 1.00 44.21 O ATOM 77 CB THR A 7 -22.650 4.240 8.710 1.00 73.05 C ATOM 78 OG1 THR A 7 -22.566 5.289 9.669 1.00 11.23 O ATOM 79 CG2 THR A 7 -23.392 4.813 7.503 1.00 23.23 C ATOM 0 H THR A 7 -22.301 3.491 11.008 1.00 42.55 H new ATOM 0 HA THR A 7 -24.458 3.117 9.112 1.00 32.03 H new ATOM 0 HB THR A 7 -21.659 3.890 8.422 1.00 73.05 H new ATOM 0 HG1 THR A 7 -22.093 6.053 9.278 1.00 11.23 H new ATOM 0 HG21 THR A 7 -22.846 5.673 7.115 1.00 23.23 H new ATOM 0 HG22 THR A 7 -23.468 4.051 6.727 1.00 23.23 H new ATOM 0 HG23 THR A 7 -24.392 5.124 7.805 1.00 23.23 H new ATOM 87 N ASN A 8 -22.428 0.726 9.305 1.00 5.32 N ATOM 88 CA ASN A 8 -22.077 -0.568 8.721 1.00 73.23 C ATOM 89 C ASN A 8 -23.255 -1.556 8.705 1.00 43.45 C ATOM 90 O ASN A 8 -23.182 -2.567 8.009 1.00 60.15 O ATOM 91 CB ASN A 8 -20.833 -1.170 9.410 1.00 44.45 C ATOM 92 CG ASN A 8 -21.034 -1.716 10.826 1.00 74.04 C ATOM 93 OD1 ASN A 8 -22.122 -2.110 11.235 1.00 61.11 O ATOM 94 ND2 ASN A 8 -19.994 -1.740 11.637 1.00 21.03 N ATOM 0 H ASN A 8 -22.186 0.816 10.292 1.00 5.32 H new ATOM 0 HA ASN A 8 -21.826 -0.383 7.676 1.00 73.23 H new ATOM 0 HB2 ASN A 8 -20.453 -1.977 8.784 1.00 44.45 H new ATOM 0 HB3 ASN A 8 -20.059 -0.404 9.446 1.00 44.45 H new ATOM 0 HD21 ASN A 8 -20.100 -2.083 12.592 1.00 21.03 H new ATOM 0 HD22 ASN A 8 -19.084 -1.415 11.309 1.00 21.03 H new ATOM 100 N ASN A 9 -24.337 -1.287 9.446 1.00 24.04 N ATOM 101 CA ASN A 9 -25.289 -2.325 9.859 1.00 33.32 C ATOM 102 C ASN A 9 -26.256 -2.785 8.756 1.00 53.24 C ATOM 103 O ASN A 9 -27.065 -3.686 8.993 1.00 4.43 O ATOM 104 CB ASN A 9 -26.070 -1.859 11.103 1.00 1.12 C ATOM 105 CG ASN A 9 -25.212 -1.904 12.363 1.00 1.30 C ATOM 106 OD1 ASN A 9 -24.815 -2.970 12.816 1.00 63.14 O ATOM 107 ND2 ASN A 9 -24.877 -0.765 12.942 1.00 41.33 N ATOM 0 H ASN A 9 -24.576 -0.351 9.774 1.00 24.04 H new ATOM 0 HA ASN A 9 -24.687 -3.202 10.096 1.00 33.32 H new ATOM 0 HB2 ASN A 9 -26.431 -0.843 10.945 1.00 1.12 H new ATOM 0 HB3 ASN A 9 -26.948 -2.491 11.239 1.00 1.12 H new ATOM 0 HD21 ASN A 9 -24.284 -0.770 13.772 1.00 41.33 H new ATOM 0 HD22 ASN A 9 -25.211 0.119 12.559 1.00 41.33 H new ATOM 113 N PHE A 10 -26.211 -2.199 7.558 1.00 43.33 N ATOM 114 CA PHE A 10 -27.102 -2.506 6.438 1.00 15.13 C ATOM 115 C PHE A 10 -26.282 -2.917 5.213 1.00 4.44 C ATOM 116 O PHE A 10 -25.060 -2.759 5.209 1.00 74.33 O ATOM 117 CB PHE A 10 -28.024 -1.308 6.161 1.00 73.44 C ATOM 118 CG PHE A 10 -27.307 -0.008 5.848 1.00 22.32 C ATOM 119 CD1 PHE A 10 -26.966 0.307 4.520 1.00 2.51 C ATOM 120 CD2 PHE A 10 -26.989 0.892 6.884 1.00 41.53 C ATOM 121 CE1 PHE A 10 -26.321 1.519 4.227 1.00 22.00 C ATOM 122 CE2 PHE A 10 -26.335 2.101 6.590 1.00 13.43 C ATOM 123 CZ PHE A 10 -26.002 2.414 5.262 1.00 22.21 C ATOM 0 H PHE A 10 -25.530 -1.473 7.334 1.00 43.33 H new ATOM 0 HA PHE A 10 -27.741 -3.352 6.691 1.00 15.13 H new ATOM 0 HB2 PHE A 10 -28.677 -1.556 5.324 1.00 73.44 H new ATOM 0 HB3 PHE A 10 -28.664 -1.153 7.029 1.00 73.44 H new ATOM 0 HD1 PHE A 10 -27.201 -0.385 3.725 1.00 2.51 H new ATOM 0 HD2 PHE A 10 -27.248 0.653 7.905 1.00 41.53 H new ATOM 0 HE1 PHE A 10 -26.070 1.764 3.205 1.00 22.00 H new ATOM 0 HE2 PHE A 10 -26.089 2.789 7.385 1.00 13.43 H new ATOM 0 HZ PHE A 10 -25.500 3.343 5.036 1.00 22.21 H new ATOM 132 N VAL A 11 -26.940 -3.466 4.191 1.00 62.31 N ATOM 133 CA VAL A 11 -26.419 -3.646 2.839 1.00 1.21 C ATOM 134 C VAL A 11 -27.636 -3.861 1.931 1.00 32.00 C ATOM 135 O VAL A 11 -28.587 -4.542 2.338 1.00 40.24 O ATOM 136 CB VAL A 11 -25.389 -4.805 2.774 1.00 44.22 C ATOM 137 CG1 VAL A 11 -25.945 -6.181 3.166 1.00 35.04 C ATOM 138 CG2 VAL A 11 -24.732 -4.908 1.391 1.00 55.33 C ATOM 0 H VAL A 11 -27.894 -3.813 4.290 1.00 62.31 H new ATOM 0 HA VAL A 11 -25.861 -2.771 2.504 1.00 1.21 H new ATOM 0 HB VAL A 11 -24.646 -4.536 3.525 1.00 44.22 H new ATOM 0 HG11 VAL A 11 -25.155 -6.928 3.091 1.00 35.04 H new ATOM 0 HG12 VAL A 11 -26.314 -6.146 4.191 1.00 35.04 H new ATOM 0 HG13 VAL A 11 -26.762 -6.448 2.495 1.00 35.04 H new ATOM 0 HG21 VAL A 11 -24.018 -5.731 1.388 1.00 55.33 H new ATOM 0 HG22 VAL A 11 -25.498 -5.089 0.637 1.00 55.33 H new ATOM 0 HG23 VAL A 11 -24.213 -3.977 1.165 1.00 55.33 H new ATOM 148 N SER A 12 -27.617 -3.283 0.731 1.00 22.32 N ATOM 149 CA SER A 12 -28.596 -3.486 -0.328 1.00 41.35 C ATOM 150 C SER A 12 -27.937 -3.278 -1.711 1.00 74.22 C ATOM 151 O SER A 12 -26.859 -2.677 -1.795 1.00 35.00 O ATOM 152 CB SER A 12 -29.798 -2.553 -0.086 1.00 60.15 C ATOM 153 OG SER A 12 -29.424 -1.240 0.291 1.00 12.33 O ATOM 0 H SER A 12 -26.882 -2.630 0.461 1.00 22.32 H new ATOM 0 HA SER A 12 -28.967 -4.511 -0.316 1.00 41.35 H new ATOM 0 HB2 SER A 12 -30.400 -2.505 -0.994 1.00 60.15 H new ATOM 0 HB3 SER A 12 -30.429 -2.981 0.693 1.00 60.15 H new ATOM 0 HG SER A 12 -30.228 -0.697 0.428 1.00 12.33 H new ATOM 158 N PRO A 13 -28.554 -3.766 -2.806 1.00 1.23 N ATOM 159 CA PRO A 13 -27.980 -3.713 -4.148 1.00 74.23 C ATOM 160 C PRO A 13 -28.059 -2.331 -4.798 1.00 35.30 C ATOM 161 O PRO A 13 -29.047 -1.997 -5.464 1.00 22.00 O ATOM 162 CB PRO A 13 -28.771 -4.722 -4.973 1.00 22.11 C ATOM 163 CG PRO A 13 -30.116 -4.827 -4.263 1.00 72.01 C ATOM 164 CD PRO A 13 -29.740 -4.616 -2.803 1.00 3.30 C ATOM 0 HA PRO A 13 -26.915 -3.940 -4.096 1.00 74.23 H new ATOM 0 HB2 PRO A 13 -28.891 -4.385 -6.003 1.00 22.11 H new ATOM 0 HB3 PRO A 13 -28.266 -5.687 -5.010 1.00 22.11 H new ATOM 0 HG2 PRO A 13 -30.819 -4.071 -4.613 1.00 72.01 H new ATOM 0 HG3 PRO A 13 -30.585 -5.798 -4.424 1.00 72.01 H new ATOM 0 HD2 PRO A 13 -30.556 -4.144 -2.255 1.00 3.30 H new ATOM 0 HD3 PRO A 13 -29.535 -5.568 -2.312 1.00 3.30 H new ATOM 169 N ASN A 14 -27.014 -1.517 -4.675 1.00 43.12 N ATOM 170 CA ASN A 14 -27.034 -0.158 -5.197 1.00 32.21 C ATOM 171 C ASN A 14 -25.623 0.412 -5.175 1.00 32.33 C ATOM 172 O ASN A 14 -24.931 0.256 -4.173 1.00 3.33 O ATOM 173 CB ASN A 14 -27.972 0.650 -4.302 1.00 41.24 C ATOM 174 CG ASN A 14 -28.444 1.918 -4.986 1.00 33.01 C ATOM 175 OD1 ASN A 14 -27.651 2.751 -5.415 1.00 23.13 O ATOM 176 ND2 ASN A 14 -29.751 2.072 -5.121 1.00 63.31 N ATOM 0 H ASN A 14 -26.141 -1.778 -4.216 1.00 43.12 H new ATOM 0 HA ASN A 14 -27.386 -0.126 -6.228 1.00 32.21 H new ATOM 0 HB2 ASN A 14 -28.834 0.039 -4.032 1.00 41.24 H new ATOM 0 HB3 ASN A 14 -27.460 0.906 -3.374 1.00 41.24 H new ATOM 0 HD21 ASN A 14 -30.121 2.898 -5.591 1.00 63.31 H new ATOM 0 HD22 ASN A 14 -30.388 1.365 -4.755 1.00 63.31 H new ATOM 182 N LEU A 15 -25.159 1.029 -6.260 1.00 51.42 N ATOM 183 CA LEU A 15 -23.809 1.587 -6.371 1.00 72.12 C ATOM 184 C LEU A 15 -23.900 3.037 -6.843 1.00 31.13 C ATOM 185 O LEU A 15 -23.423 3.406 -7.920 1.00 34.00 O ATOM 186 CB LEU A 15 -22.917 0.715 -7.273 1.00 74.33 C ATOM 187 CG LEU A 15 -21.424 1.102 -7.151 1.00 44.53 C ATOM 188 CD1 LEU A 15 -20.659 0.075 -6.306 1.00 53.11 C ATOM 189 CD2 LEU A 15 -20.766 1.236 -8.527 1.00 73.01 C ATOM 0 H LEU A 15 -25.719 1.158 -7.103 1.00 51.42 H new ATOM 0 HA LEU A 15 -23.329 1.585 -5.392 1.00 72.12 H new ATOM 0 HB2 LEU A 15 -23.044 -0.334 -7.005 1.00 74.33 H new ATOM 0 HB3 LEU A 15 -23.236 0.820 -8.310 1.00 74.33 H new ATOM 0 HG LEU A 15 -21.381 2.071 -6.654 1.00 44.53 H new ATOM 0 HD11 LEU A 15 -19.612 0.370 -6.235 1.00 53.11 H new ATOM 0 HD12 LEU A 15 -21.092 0.031 -5.307 1.00 53.11 H new ATOM 0 HD13 LEU A 15 -20.729 -0.906 -6.775 1.00 53.11 H new ATOM 0 HD21 LEU A 15 -19.718 1.509 -8.404 1.00 73.01 H new ATOM 0 HD22 LEU A 15 -20.834 0.286 -9.057 1.00 73.01 H new ATOM 0 HD23 LEU A 15 -21.277 2.009 -9.101 1.00 73.01 H new ATOM 200 N GLN A 16 -24.512 3.880 -6.017 1.00 14.14 N ATOM 201 CA GLN A 16 -24.608 5.328 -6.211 1.00 31.24 C ATOM 202 C GLN A 16 -23.469 6.087 -5.509 1.00 50.34 C ATOM 203 O GLN A 16 -23.516 7.306 -5.366 1.00 12.11 O ATOM 204 CB GLN A 16 -26.024 5.792 -5.817 1.00 42.53 C ATOM 205 CG GLN A 16 -26.437 5.539 -4.355 1.00 31.30 C ATOM 206 CD GLN A 16 -25.895 6.588 -3.393 1.00 54.32 C ATOM 207 OE1 GLN A 16 -24.963 6.351 -2.626 1.00 34.34 O ATOM 208 NE2 GLN A 16 -26.462 7.782 -3.410 1.00 45.54 N ATOM 0 H GLN A 16 -24.972 3.565 -5.163 1.00 14.14 H new ATOM 0 HA GLN A 16 -24.467 5.571 -7.264 1.00 31.24 H new ATOM 0 HB2 GLN A 16 -26.103 6.861 -6.016 1.00 42.53 H new ATOM 0 HB3 GLN A 16 -26.742 5.293 -6.468 1.00 42.53 H new ATOM 0 HG2 GLN A 16 -27.525 5.521 -4.289 1.00 31.30 H new ATOM 0 HG3 GLN A 16 -26.082 4.555 -4.048 1.00 31.30 H new ATOM 0 HE21 GLN A 16 -27.234 7.971 -4.049 1.00 45.54 H new ATOM 0 HE22 GLN A 16 -26.127 8.515 -2.784 1.00 45.54 H new ATOM 215 N LEU A 17 -22.429 5.377 -5.068 1.00 13.30 N ATOM 216 CA LEU A 17 -21.468 5.834 -4.068 1.00 53.24 C ATOM 217 C LEU A 17 -20.026 5.623 -4.522 1.00 25.43 C ATOM 218 O LEU A 17 -19.304 4.733 -4.069 1.00 11.12 O ATOM 219 CB LEU A 17 -21.758 5.211 -2.695 1.00 74.45 C ATOM 220 CG LEU A 17 -22.304 3.759 -2.670 1.00 41.52 C ATOM 221 CD1 LEU A 17 -21.351 2.698 -3.231 1.00 24.24 C ATOM 222 CD2 LEU A 17 -22.661 3.386 -1.236 1.00 3.14 C ATOM 0 H LEU A 17 -22.228 4.437 -5.410 1.00 13.30 H new ATOM 0 HA LEU A 17 -21.591 6.911 -3.957 1.00 53.24 H new ATOM 0 HB2 LEU A 17 -20.836 5.234 -2.113 1.00 74.45 H new ATOM 0 HB3 LEU A 17 -22.476 5.850 -2.180 1.00 74.45 H new ATOM 0 HG LEU A 17 -23.174 3.760 -3.327 1.00 41.52 H new ATOM 0 HD11 LEU A 17 -21.822 1.717 -3.170 1.00 24.24 H new ATOM 0 HD12 LEU A 17 -21.123 2.927 -4.272 1.00 24.24 H new ATOM 0 HD13 LEU A 17 -20.429 2.694 -2.650 1.00 24.24 H new ATOM 0 HD21 LEU A 17 -23.046 2.366 -1.210 1.00 3.14 H new ATOM 0 HD22 LEU A 17 -21.771 3.454 -0.610 1.00 3.14 H new ATOM 0 HD23 LEU A 17 -23.422 4.070 -0.861 1.00 3.14 H new ATOM 233 N LYS A 18 -19.571 6.487 -5.417 1.00 11.44 N ATOM 234 CA LYS A 18 -18.150 6.596 -5.740 1.00 62.04 C ATOM 235 C LYS A 18 -17.494 7.427 -4.650 1.00 73.24 C ATOM 236 O LYS A 18 -17.890 8.570 -4.422 1.00 1.42 O ATOM 237 CB LYS A 18 -17.940 7.174 -7.148 1.00 42.11 C ATOM 238 CG LYS A 18 -18.200 6.108 -8.229 1.00 10.34 C ATOM 239 CD LYS A 18 -17.018 5.130 -8.351 1.00 20.21 C ATOM 240 CE LYS A 18 -17.368 3.802 -9.029 1.00 21.44 C ATOM 241 NZ LYS A 18 -17.949 4.006 -10.367 1.00 12.42 N ATOM 0 H LYS A 18 -20.168 7.129 -5.938 1.00 11.44 H new ATOM 0 HA LYS A 18 -17.682 5.612 -5.765 1.00 62.04 H new ATOM 0 HB2 LYS A 18 -18.609 8.021 -7.300 1.00 42.11 H new ATOM 0 HB3 LYS A 18 -16.921 7.551 -7.242 1.00 42.11 H new ATOM 0 HG2 LYS A 18 -19.108 5.555 -7.986 1.00 10.34 H new ATOM 0 HG3 LYS A 18 -18.371 6.595 -9.189 1.00 10.34 H new ATOM 0 HD2 LYS A 18 -16.219 5.612 -8.914 1.00 20.21 H new ATOM 0 HD3 LYS A 18 -16.627 4.924 -7.355 1.00 20.21 H new ATOM 0 HE2 LYS A 18 -16.471 3.189 -9.112 1.00 21.44 H new ATOM 0 HE3 LYS A 18 -18.073 3.251 -8.407 1.00 21.44 H new ATOM 0 HZ1 LYS A 18 -18.125 3.083 -10.813 1.00 12.42 H new ATOM 0 HZ2 LYS A 18 -18.846 4.526 -10.281 1.00 12.42 H new ATOM 0 HZ3 LYS A 18 -17.287 4.553 -10.953 1.00 12.42 H new ATOM 251 N GLN A 19 -16.550 6.834 -3.930 1.00 2.22 N ATOM 252 CA GLN A 19 -15.818 7.404 -2.808 1.00 42.22 C ATOM 253 C GLN A 19 -14.336 7.072 -2.992 1.00 5.50 C ATOM 254 O GLN A 19 -13.950 6.370 -3.926 1.00 70.14 O ATOM 255 CB GLN A 19 -16.363 6.809 -1.486 1.00 3.20 C ATOM 256 CG GLN A 19 -17.814 7.178 -1.128 1.00 64.41 C ATOM 257 CD GLN A 19 -17.949 8.653 -0.760 1.00 44.35 C ATOM 258 OE1 GLN A 19 -17.977 9.022 0.411 1.00 23.44 O ATOM 259 NE2 GLN A 19 -17.984 9.528 -1.750 1.00 13.24 N ATOM 0 H GLN A 19 -16.256 5.878 -4.129 1.00 2.22 H new ATOM 0 HA GLN A 19 -15.942 8.486 -2.767 1.00 42.22 H new ATOM 0 HB2 GLN A 19 -16.288 5.723 -1.541 1.00 3.20 H new ATOM 0 HB3 GLN A 19 -15.715 7.132 -0.671 1.00 3.20 H new ATOM 0 HG2 GLN A 19 -18.465 6.953 -1.973 1.00 64.41 H new ATOM 0 HG3 GLN A 19 -18.150 6.563 -0.293 1.00 64.41 H new ATOM 0 HE21 GLN A 19 -17.960 9.205 -2.717 1.00 13.24 H new ATOM 0 HE22 GLN A 19 -18.035 10.526 -1.547 1.00 13.24 H new ATOM 266 N ASN A 20 -13.510 7.545 -2.066 1.00 30.32 N ATOM 267 CA ASN A 20 -12.140 7.114 -1.858 1.00 23.04 C ATOM 268 C ASN A 20 -12.230 5.674 -1.360 1.00 51.43 C ATOM 269 O ASN A 20 -12.576 5.422 -0.201 1.00 24.20 O ATOM 270 CB ASN A 20 -11.496 8.068 -0.849 1.00 3.24 C ATOM 271 CG ASN A 20 -9.980 8.006 -0.693 1.00 33.24 C ATOM 272 OD1 ASN A 20 -9.418 8.985 -0.216 1.00 71.02 O ATOM 273 ND2 ASN A 20 -9.287 6.928 -1.007 1.00 23.20 N ATOM 0 H ASN A 20 -13.794 8.273 -1.411 1.00 30.32 H new ATOM 0 HA ASN A 20 -11.520 7.139 -2.754 1.00 23.04 H new ATOM 0 HB2 ASN A 20 -11.764 9.086 -1.130 1.00 3.24 H new ATOM 0 HB3 ASN A 20 -11.943 7.878 0.127 1.00 3.24 H new ATOM 0 HD21 ASN A 20 -8.279 6.907 -0.853 1.00 23.20 H new ATOM 0 HD22 ASN A 20 -9.759 6.116 -1.404 1.00 23.20 H new ATOM 279 N VAL A 21 -12.066 4.748 -2.291 1.00 3.53 N ATOM 280 CA VAL A 21 -12.065 3.300 -2.108 1.00 71.04 C ATOM 281 C VAL A 21 -10.602 2.849 -2.219 1.00 14.50 C ATOM 282 O VAL A 21 -9.842 3.446 -2.979 1.00 13.30 O ATOM 283 CB VAL A 21 -12.996 2.677 -3.178 1.00 31.21 C ATOM 284 CG1 VAL A 21 -12.918 1.146 -3.236 1.00 71.42 C ATOM 285 CG2 VAL A 21 -14.467 3.057 -2.925 1.00 24.14 C ATOM 0 H VAL A 21 -11.919 5.005 -3.267 1.00 3.53 H new ATOM 0 HA VAL A 21 -12.448 2.977 -1.140 1.00 71.04 H new ATOM 0 HB VAL A 21 -12.644 3.082 -4.127 1.00 31.21 H new ATOM 0 HG11 VAL A 21 -13.595 0.776 -4.006 1.00 71.42 H new ATOM 0 HG12 VAL A 21 -11.898 0.842 -3.473 1.00 71.42 H new ATOM 0 HG13 VAL A 21 -13.205 0.730 -2.270 1.00 71.42 H new ATOM 0 HG21 VAL A 21 -15.096 2.605 -3.692 1.00 24.14 H new ATOM 0 HG22 VAL A 21 -14.773 2.694 -1.944 1.00 24.14 H new ATOM 0 HG23 VAL A 21 -14.574 4.141 -2.960 1.00 24.14 H new ATOM 295 N LEU A 22 -10.187 1.833 -1.457 1.00 74.34 N ATOM 296 CA LEU A 22 -8.789 1.404 -1.423 1.00 44.13 C ATOM 297 C LEU A 22 -8.417 0.554 -2.646 1.00 12.40 C ATOM 298 O LEU A 22 -9.291 -0.060 -3.267 1.00 62.33 O ATOM 299 CB LEU A 22 -8.494 0.601 -0.139 1.00 44.42 C ATOM 300 CG LEU A 22 -8.462 1.473 1.128 1.00 32.31 C ATOM 301 CD1 LEU A 22 -8.393 0.584 2.372 1.00 60.31 C ATOM 302 CD2 LEU A 22 -7.279 2.450 1.150 1.00 31.00 C ATOM 0 H LEU A 22 -10.804 1.291 -0.853 1.00 74.34 H new ATOM 0 HA LEU A 22 -8.183 2.310 -1.437 1.00 44.13 H new ATOM 0 HB2 LEU A 22 -9.252 -0.173 -0.020 1.00 44.42 H new ATOM 0 HB3 LEU A 22 -7.535 0.094 -0.248 1.00 44.42 H new ATOM 0 HG LEU A 22 -9.379 2.062 1.124 1.00 32.31 H new ATOM 0 HD11 LEU A 22 -8.371 1.209 3.265 1.00 60.31 H new ATOM 0 HD12 LEU A 22 -9.268 -0.065 2.405 1.00 60.31 H new ATOM 0 HD13 LEU A 22 -7.491 -0.026 2.334 1.00 60.31 H new ATOM 0 HD21 LEU A 22 -7.310 3.038 2.067 1.00 31.00 H new ATOM 0 HD22 LEU A 22 -6.344 1.891 1.108 1.00 31.00 H new ATOM 0 HD23 LEU A 22 -7.342 3.117 0.290 1.00 31.00 H new ATOM 313 N PRO A 23 -7.116 0.455 -2.967 1.00 15.32 N ATOM 314 CA PRO A 23 -6.583 -0.546 -3.888 1.00 4.43 C ATOM 315 C PRO A 23 -6.654 -1.981 -3.313 1.00 51.25 C ATOM 316 O PRO A 23 -6.883 -2.174 -2.112 1.00 71.04 O ATOM 317 CB PRO A 23 -5.149 -0.089 -4.195 1.00 54.51 C ATOM 318 CG PRO A 23 -4.776 0.799 -3.021 1.00 71.34 C ATOM 319 CD PRO A 23 -6.088 1.401 -2.563 1.00 2.43 C ATOM 0 HA PRO A 23 -7.177 -0.609 -4.800 1.00 4.43 H new ATOM 0 HB2 PRO A 23 -4.471 -0.938 -4.282 1.00 54.51 H new ATOM 0 HB3 PRO A 23 -5.099 0.456 -5.137 1.00 54.51 H new ATOM 0 HG2 PRO A 23 -4.304 0.224 -2.224 1.00 71.34 H new ATOM 0 HG3 PRO A 23 -4.068 1.572 -3.319 1.00 71.34 H new ATOM 0 HD2 PRO A 23 -6.095 1.550 -1.483 1.00 2.43 H new ATOM 0 HD3 PRO A 23 -6.252 2.377 -3.020 1.00 2.43 H new ATOM 324 N PRO A 24 -6.462 -3.014 -4.156 1.00 54.32 N ATOM 325 CA PRO A 24 -6.653 -4.424 -3.798 1.00 41.11 C ATOM 326 C PRO A 24 -5.535 -5.015 -2.923 1.00 15.11 C ATOM 327 O PRO A 24 -4.419 -4.502 -2.865 1.00 43.25 O ATOM 328 CB PRO A 24 -6.708 -5.156 -5.146 1.00 64.24 C ATOM 329 CG PRO A 24 -5.840 -4.286 -6.040 1.00 52.22 C ATOM 330 CD PRO A 24 -6.218 -2.889 -5.587 1.00 71.43 C ATOM 0 HA PRO A 24 -7.552 -4.533 -3.192 1.00 41.11 H new ATOM 0 HB2 PRO A 24 -6.320 -6.172 -5.070 1.00 64.24 H new ATOM 0 HB3 PRO A 24 -7.728 -5.232 -5.523 1.00 64.24 H new ATOM 0 HG2 PRO A 24 -4.778 -4.487 -5.898 1.00 52.22 H new ATOM 0 HG3 PRO A 24 -6.056 -4.444 -7.097 1.00 52.22 H new ATOM 0 HD2 PRO A 24 -5.418 -2.177 -5.791 1.00 71.43 H new ATOM 0 HD3 PRO A 24 -7.105 -2.530 -6.109 1.00 71.43 H new ATOM 335 N THR A 25 -5.804 -6.169 -2.303 1.00 4.11 N ATOM 336 CA THR A 25 -4.829 -6.950 -1.535 1.00 40.51 C ATOM 337 C THR A 25 -4.995 -8.451 -1.824 1.00 71.21 C ATOM 338 O THR A 25 -6.067 -8.869 -2.286 1.00 62.32 O ATOM 339 CB THR A 25 -4.976 -6.648 -0.026 1.00 40.31 C ATOM 340 OG1 THR A 25 -6.324 -6.524 0.390 1.00 34.21 O ATOM 341 CG2 THR A 25 -4.259 -5.362 0.359 1.00 60.04 C ATOM 0 H THR A 25 -6.730 -6.596 -2.322 1.00 4.11 H new ATOM 0 HA THR A 25 -3.823 -6.662 -1.841 1.00 40.51 H new ATOM 0 HB THR A 25 -4.527 -7.506 0.474 1.00 40.31 H new ATOM 0 HG1 THR A 25 -6.354 -6.335 1.351 1.00 34.21 H new ATOM 0 HG21 THR A 25 -4.384 -5.182 1.427 1.00 60.04 H new ATOM 0 HG22 THR A 25 -3.198 -5.454 0.128 1.00 60.04 H new ATOM 0 HG23 THR A 25 -4.681 -4.528 -0.202 1.00 60.04 H new ATOM 349 N PRO A 26 -3.973 -9.285 -1.551 1.00 1.34 N ATOM 350 CA PRO A 26 -4.083 -10.732 -1.712 1.00 63.11 C ATOM 351 C PRO A 26 -5.092 -11.336 -0.727 1.00 55.43 C ATOM 352 O PRO A 26 -5.303 -10.817 0.377 1.00 15.53 O ATOM 353 CB PRO A 26 -2.669 -11.286 -1.485 1.00 35.22 C ATOM 354 CG PRO A 26 -1.964 -10.198 -0.665 1.00 4.40 C ATOM 355 CD PRO A 26 -2.644 -8.905 -1.081 1.00 74.14 C ATOM 0 HA PRO A 26 -4.455 -10.992 -2.703 1.00 63.11 H new ATOM 0 HB2 PRO A 26 -2.695 -12.235 -0.949 1.00 35.22 H new ATOM 0 HB3 PRO A 26 -2.156 -11.467 -2.430 1.00 35.22 H new ATOM 0 HG2 PRO A 26 -2.071 -10.376 0.405 1.00 4.40 H new ATOM 0 HG3 PRO A 26 -0.895 -10.171 -0.878 1.00 4.40 H new ATOM 0 HD2 PRO A 26 -2.710 -8.211 -0.243 1.00 74.14 H new ATOM 0 HD3 PRO A 26 -2.080 -8.403 -1.867 1.00 74.14 H new ATOM 360 N LYS A 27 -5.687 -12.479 -1.084 1.00 12.24 N ATOM 361 CA LYS A 27 -6.572 -13.221 -0.180 1.00 53.54 C ATOM 362 C LYS A 27 -5.756 -14.110 0.756 1.00 44.53 C ATOM 363 O LYS A 27 -5.832 -15.344 0.711 1.00 63.11 O ATOM 364 CB LYS A 27 -7.685 -13.971 -0.926 1.00 13.33 C ATOM 365 CG LYS A 27 -7.104 -14.971 -1.926 1.00 11.44 C ATOM 366 CD LYS A 27 -7.934 -16.256 -2.093 1.00 4.14 C ATOM 367 CE LYS A 27 -6.997 -17.468 -2.109 1.00 11.32 C ATOM 368 NZ LYS A 27 -6.440 -17.753 -0.770 1.00 75.33 N ATOM 0 H LYS A 27 -5.570 -12.913 -2.000 1.00 12.24 H new ATOM 0 HA LYS A 27 -7.099 -12.500 0.445 1.00 53.54 H new ATOM 0 HB2 LYS A 27 -8.317 -14.495 -0.209 1.00 13.33 H new ATOM 0 HB3 LYS A 27 -8.321 -13.257 -1.449 1.00 13.33 H new ATOM 0 HG2 LYS A 27 -7.011 -14.484 -2.897 1.00 11.44 H new ATOM 0 HG3 LYS A 27 -6.097 -15.242 -1.608 1.00 11.44 H new ATOM 0 HD2 LYS A 27 -8.651 -16.348 -1.277 1.00 4.14 H new ATOM 0 HD3 LYS A 27 -8.508 -16.214 -3.019 1.00 4.14 H new ATOM 0 HE2 LYS A 27 -7.540 -18.342 -2.470 1.00 11.32 H new ATOM 0 HE3 LYS A 27 -6.182 -17.287 -2.810 1.00 11.32 H new ATOM 0 HZ1 LYS A 27 -5.537 -18.259 -0.870 1.00 75.33 H new ATOM 0 HZ2 LYS A 27 -6.281 -16.859 -0.263 1.00 75.33 H new ATOM 0 HZ3 LYS A 27 -7.109 -18.341 -0.234 1.00 75.33 H new ATOM 378 N ASN A 28 -4.938 -13.487 1.604 1.00 31.13 N ATOM 379 CA ASN A 28 -4.297 -14.204 2.687 1.00 55.33 C ATOM 380 C ASN A 28 -4.365 -13.439 3.993 1.00 0.32 C ATOM 381 O ASN A 28 -4.390 -14.086 5.034 1.00 3.43 O ATOM 382 CB ASN A 28 -2.818 -14.471 2.415 1.00 32.43 C ATOM 383 CG ASN A 28 -2.574 -15.613 1.459 1.00 51.55 C ATOM 384 OD1 ASN A 28 -2.815 -16.774 1.771 1.00 54.35 O ATOM 385 ND2 ASN A 28 -2.006 -15.321 0.308 1.00 44.41 N ATOM 0 H ASN A 28 -4.710 -12.494 1.556 1.00 31.13 H new ATOM 0 HA ASN A 28 -4.845 -15.144 2.760 1.00 55.33 H new ATOM 0 HB2 ASN A 28 -2.363 -13.567 2.011 1.00 32.43 H new ATOM 0 HB3 ASN A 28 -2.317 -14.685 3.359 1.00 32.43 H new ATOM 0 HD21 ASN A 28 -1.758 -16.067 -0.342 1.00 44.41 H new ATOM 0 HD22 ASN A 28 -1.814 -14.349 0.066 1.00 44.41 H new ATOM 391 N ILE A 29 -4.282 -12.102 3.977 1.00 14.33 N ATOM 392 CA ILE A 29 -4.173 -11.295 5.183 1.00 73.02 C ATOM 393 C ILE A 29 -4.880 -9.945 4.936 1.00 64.34 C ATOM 394 O ILE A 29 -5.060 -9.557 3.774 1.00 34.11 O ATOM 395 CB ILE A 29 -2.682 -11.113 5.581 1.00 53.24 C ATOM 396 CG1 ILE A 29 -1.884 -10.113 4.721 1.00 15.52 C ATOM 397 CG2 ILE A 29 -1.879 -12.411 5.715 1.00 24.43 C ATOM 398 CD1 ILE A 29 -1.775 -10.418 3.237 1.00 0.53 C ATOM 0 H ILE A 29 -4.289 -11.553 3.117 1.00 14.33 H new ATOM 0 HA ILE A 29 -4.661 -11.794 6.020 1.00 73.02 H new ATOM 0 HB ILE A 29 -2.795 -10.681 6.575 1.00 53.24 H new ATOM 0 HG12 ILE A 29 -2.340 -9.130 4.833 1.00 15.52 H new ATOM 0 HG13 ILE A 29 -0.875 -10.044 5.128 1.00 15.52 H new ATOM 0 HG21 ILE A 29 -0.852 -12.176 5.995 1.00 24.43 H new ATOM 0 HG22 ILE A 29 -2.330 -13.040 6.482 1.00 24.43 H new ATOM 0 HG23 ILE A 29 -1.883 -12.941 4.763 1.00 24.43 H new ATOM 0 HD11 ILE A 29 -1.190 -9.639 2.748 1.00 0.53 H new ATOM 0 HD12 ILE A 29 -1.284 -11.381 3.099 1.00 0.53 H new ATOM 0 HD13 ILE A 29 -2.772 -10.452 2.798 1.00 0.53 H new ATOM 409 N PRO A 30 -5.243 -9.197 5.991 1.00 64.24 N ATOM 410 CA PRO A 30 -5.834 -7.868 5.853 1.00 34.21 C ATOM 411 C PRO A 30 -4.786 -6.828 5.416 1.00 42.12 C ATOM 412 O PRO A 30 -3.586 -7.075 5.523 1.00 44.21 O ATOM 413 CB PRO A 30 -6.432 -7.566 7.233 1.00 71.32 C ATOM 414 CG PRO A 30 -5.576 -8.374 8.203 1.00 21.12 C ATOM 415 CD PRO A 30 -5.172 -9.597 7.388 1.00 22.40 C ATOM 0 HA PRO A 30 -6.596 -7.827 5.075 1.00 34.21 H new ATOM 0 HB2 PRO A 30 -6.391 -6.501 7.459 1.00 71.32 H new ATOM 0 HB3 PRO A 30 -7.480 -7.863 7.286 1.00 71.32 H new ATOM 0 HG2 PRO A 30 -4.706 -7.809 8.537 1.00 21.12 H new ATOM 0 HG3 PRO A 30 -6.136 -8.654 9.095 1.00 21.12 H new ATOM 0 HD2 PRO A 30 -4.165 -9.923 7.649 1.00 22.40 H new ATOM 0 HD3 PRO A 30 -5.840 -10.435 7.587 1.00 22.40 H new ATOM 420 N LEU A 31 -5.209 -5.633 4.991 1.00 52.51 N ATOM 421 CA LEU A 31 -4.336 -4.482 4.692 1.00 32.03 C ATOM 422 C LEU A 31 -3.323 -4.208 5.825 1.00 34.13 C ATOM 423 O LEU A 31 -2.118 -4.217 5.564 1.00 20.40 O ATOM 424 CB LEU A 31 -5.189 -3.258 4.310 1.00 3.34 C ATOM 425 CG LEU A 31 -4.428 -1.961 3.958 1.00 73.14 C ATOM 426 CD1 LEU A 31 -4.064 -1.118 5.182 1.00 21.00 C ATOM 427 CD2 LEU A 31 -3.168 -2.173 3.110 1.00 15.43 C ATOM 0 H LEU A 31 -6.197 -5.429 4.840 1.00 52.51 H new ATOM 0 HA LEU A 31 -3.720 -4.724 3.826 1.00 32.03 H new ATOM 0 HB2 LEU A 31 -5.810 -3.530 3.456 1.00 3.34 H new ATOM 0 HB3 LEU A 31 -5.863 -3.042 5.139 1.00 3.34 H new ATOM 0 HG LEU A 31 -5.151 -1.416 3.352 1.00 73.14 H new ATOM 0 HD11 LEU A 31 -3.532 -0.222 4.862 1.00 21.00 H new ATOM 0 HD12 LEU A 31 -4.974 -0.830 5.709 1.00 21.00 H new ATOM 0 HD13 LEU A 31 -3.427 -1.700 5.848 1.00 21.00 H new ATOM 0 HD21 LEU A 31 -2.698 -1.210 2.910 1.00 15.43 H new ATOM 0 HD22 LEU A 31 -2.470 -2.813 3.649 1.00 15.43 H new ATOM 0 HD23 LEU A 31 -3.440 -2.646 2.167 1.00 15.43 H new ATOM 438 N PRO A 32 -3.738 -4.031 7.094 1.00 40.21 N ATOM 439 CA PRO A 32 -2.835 -3.928 8.245 1.00 20.30 C ATOM 440 C PRO A 32 -2.005 -5.188 8.548 1.00 60.05 C ATOM 441 O PRO A 32 -1.287 -5.202 9.551 1.00 22.32 O ATOM 442 CB PRO A 32 -3.706 -3.490 9.423 1.00 33.04 C ATOM 443 CG PRO A 32 -5.113 -3.926 9.036 1.00 52.33 C ATOM 444 CD PRO A 32 -5.107 -3.770 7.522 1.00 12.52 C ATOM 0 HA PRO A 32 -2.054 -3.200 8.025 1.00 20.30 H new ATOM 0 HB2 PRO A 32 -3.385 -3.962 10.352 1.00 33.04 H new ATOM 0 HB3 PRO A 32 -3.652 -2.412 9.578 1.00 33.04 H new ATOM 0 HG2 PRO A 32 -5.315 -4.954 9.336 1.00 52.33 H new ATOM 0 HG3 PRO A 32 -5.874 -3.301 9.504 1.00 52.33 H new ATOM 0 HD2 PRO A 32 -5.801 -4.469 7.055 1.00 12.52 H new ATOM 0 HD3 PRO A 32 -5.421 -2.767 7.232 1.00 12.52 H new ATOM 449 N ALA A 33 -2.030 -6.241 7.729 1.00 41.34 N ATOM 450 CA ALA A 33 -1.005 -7.289 7.710 1.00 64.33 C ATOM 451 C ALA A 33 -0.186 -7.284 6.419 1.00 74.12 C ATOM 452 O ALA A 33 1.024 -7.491 6.517 1.00 32.14 O ATOM 453 CB ALA A 33 -1.666 -8.629 7.960 1.00 41.33 C ATOM 0 H ALA A 33 -2.775 -6.393 7.049 1.00 41.34 H new ATOM 0 HA ALA A 33 -0.288 -7.090 8.507 1.00 64.33 H new ATOM 0 HB1 ALA A 33 -0.911 -9.415 7.948 1.00 41.33 H new ATOM 0 HB2 ALA A 33 -2.160 -8.615 8.932 1.00 41.33 H new ATOM 0 HB3 ALA A 33 -2.403 -8.822 7.181 1.00 41.33 H new ATOM 459 N PHE A 34 -0.768 -6.935 5.270 1.00 0.40 N ATOM 460 CA PHE A 34 -0.109 -7.012 3.970 1.00 3.13 C ATOM 461 C PHE A 34 1.157 -6.150 3.830 1.00 13.54 C ATOM 462 O PHE A 34 1.966 -6.425 2.958 1.00 71.13 O ATOM 463 CB PHE A 34 -1.115 -6.720 2.839 1.00 74.12 C ATOM 464 CG PHE A 34 -0.527 -6.801 1.436 1.00 42.12 C ATOM 465 CD1 PHE A 34 0.254 -7.908 1.046 1.00 23.02 C ATOM 466 CD2 PHE A 34 -0.664 -5.713 0.551 1.00 53.13 C ATOM 467 CE1 PHE A 34 0.929 -7.878 -0.184 1.00 64.43 C ATOM 468 CE2 PHE A 34 -0.032 -5.709 -0.704 1.00 23.23 C ATOM 469 CZ PHE A 34 0.783 -6.791 -1.063 1.00 75.42 C ATOM 0 H PHE A 34 -1.725 -6.586 5.219 1.00 0.40 H new ATOM 0 HA PHE A 34 0.250 -8.038 3.886 1.00 3.13 H new ATOM 0 HB2 PHE A 34 -1.942 -7.426 2.914 1.00 74.12 H new ATOM 0 HB3 PHE A 34 -1.531 -5.724 2.988 1.00 74.12 H new ATOM 0 HD1 PHE A 34 0.332 -8.772 1.689 1.00 23.02 H new ATOM 0 HD2 PHE A 34 -1.267 -4.866 0.843 1.00 53.13 H new ATOM 0 HE1 PHE A 34 1.570 -8.702 -0.459 1.00 64.43 H new ATOM 0 HE2 PHE A 34 -0.173 -4.882 -1.384 1.00 23.23 H new ATOM 0 HZ PHE A 34 1.298 -6.790 -2.013 1.00 75.42 H new ATOM 478 N GLY A 35 1.395 -5.150 4.678 1.00 1.41 N ATOM 479 CA GLY A 35 2.573 -4.302 4.568 1.00 55.45 C ATOM 480 C GLY A 35 3.568 -4.595 5.679 1.00 24.13 C ATOM 481 O GLY A 35 4.679 -5.063 5.433 1.00 21.53 O ATOM 0 H GLY A 35 0.779 -4.909 5.454 1.00 1.41 H new ATOM 0 HA2 GLY A 35 3.048 -4.460 3.600 1.00 55.45 H new ATOM 0 HA3 GLY A 35 2.275 -3.254 4.610 1.00 55.45 H new ATOM 485 N GLN A 36 3.165 -4.313 6.917 1.00 60.52 N ATOM 486 CA GLN A 36 3.980 -4.349 8.125 1.00 4.13 C ATOM 487 C GLN A 36 4.701 -5.679 8.341 1.00 14.22 C ATOM 488 O GLN A 36 5.753 -5.658 8.974 1.00 13.31 O ATOM 489 CB GLN A 36 3.160 -4.008 9.397 1.00 41.14 C ATOM 490 CG GLN A 36 2.205 -2.796 9.369 1.00 34.02 C ATOM 491 CD GLN A 36 1.322 -2.832 10.613 1.00 23.33 C ATOM 492 OE1 GLN A 36 1.739 -3.225 11.705 1.00 61.35 O ATOM 493 NE2 GLN A 36 0.065 -2.472 10.487 1.00 11.11 N ATOM 0 H GLN A 36 2.203 -4.037 7.112 1.00 60.52 H new ATOM 0 HA GLN A 36 4.736 -3.581 7.962 1.00 4.13 H new ATOM 0 HB2 GLN A 36 2.569 -4.887 9.653 1.00 41.14 H new ATOM 0 HB3 GLN A 36 3.867 -3.851 10.212 1.00 41.14 H new ATOM 0 HG2 GLN A 36 2.775 -1.868 9.339 1.00 34.02 H new ATOM 0 HG3 GLN A 36 1.590 -2.822 8.470 1.00 34.02 H new ATOM 0 HE21 GLN A 36 -0.284 -2.146 9.586 1.00 11.11 H new ATOM 0 HE22 GLN A 36 -0.562 -2.518 11.290 1.00 11.11 H new ATOM 500 N ARG A 37 4.169 -6.813 7.858 1.00 13.04 N ATOM 501 CA ARG A 37 4.787 -8.129 8.082 1.00 75.54 C ATOM 502 C ARG A 37 5.196 -8.849 6.801 1.00 64.24 C ATOM 503 O ARG A 37 5.554 -10.023 6.850 1.00 33.50 O ATOM 504 CB ARG A 37 3.897 -8.989 8.992 1.00 53.44 C ATOM 505 CG ARG A 37 3.926 -8.411 10.419 1.00 4.23 C ATOM 506 CD ARG A 37 3.389 -9.439 11.416 1.00 34.01 C ATOM 507 NE ARG A 37 3.328 -8.962 12.810 1.00 72.12 N ATOM 508 CZ ARG A 37 2.638 -9.560 13.795 1.00 13.21 C ATOM 509 NH1 ARG A 37 1.909 -10.640 13.529 1.00 0.13 N ATOM 510 NH2 ARG A 37 2.657 -9.081 15.035 1.00 14.33 N ATOM 0 H ARG A 37 3.310 -6.844 7.309 1.00 13.04 H new ATOM 0 HA ARG A 37 5.731 -7.952 8.598 1.00 75.54 H new ATOM 0 HB2 ARG A 37 2.875 -9.004 8.613 1.00 53.44 H new ATOM 0 HB3 ARG A 37 4.250 -10.020 8.997 1.00 53.44 H new ATOM 0 HG2 ARG A 37 4.946 -8.133 10.686 1.00 4.23 H new ATOM 0 HG3 ARG A 37 3.326 -7.502 10.463 1.00 4.23 H new ATOM 0 HD2 ARG A 37 2.389 -9.741 11.104 1.00 34.01 H new ATOM 0 HD3 ARG A 37 4.018 -10.328 11.376 1.00 34.01 H new ATOM 0 HE ARG A 37 3.848 -8.116 13.043 1.00 72.12 H new ATOM 0 HH11 ARG A 37 1.875 -11.011 12.580 1.00 0.13 H new ATOM 0 HH12 ARG A 37 1.384 -11.097 14.274 1.00 0.13 H new ATOM 0 HH21 ARG A 37 3.202 -8.246 15.251 1.00 14.33 H new ATOM 0 HH22 ARG A 37 2.127 -9.548 15.770 1.00 14.33 H new ATOM 521 N ILE A 38 5.144 -8.170 5.657 1.00 13.13 N ATOM 522 CA ILE A 38 5.369 -8.775 4.342 1.00 13.40 C ATOM 523 C ILE A 38 6.373 -7.929 3.564 1.00 53.32 C ATOM 524 O ILE A 38 7.330 -8.462 3.010 1.00 13.32 O ATOM 525 CB ILE A 38 4.038 -8.878 3.566 1.00 63.21 C ATOM 526 CG1 ILE A 38 2.850 -9.469 4.361 1.00 23.20 C ATOM 527 CG2 ILE A 38 4.223 -9.601 2.221 1.00 61.52 C ATOM 528 CD1 ILE A 38 2.929 -10.969 4.632 1.00 41.45 C ATOM 0 H ILE A 38 4.942 -7.171 5.615 1.00 13.13 H new ATOM 0 HA ILE A 38 5.769 -9.781 4.470 1.00 13.40 H new ATOM 0 HB ILE A 38 3.755 -7.842 3.379 1.00 63.21 H new ATOM 0 HG12 ILE A 38 2.777 -8.947 5.315 1.00 23.20 H new ATOM 0 HG13 ILE A 38 1.930 -9.263 3.814 1.00 23.20 H new ATOM 0 HG21 ILE A 38 3.266 -9.655 1.702 1.00 61.52 H new ATOM 0 HG22 ILE A 38 4.937 -9.052 1.608 1.00 61.52 H new ATOM 0 HG23 ILE A 38 4.597 -10.609 2.398 1.00 61.52 H new ATOM 0 HD11 ILE A 38 2.050 -11.284 5.194 1.00 41.45 H new ATOM 0 HD12 ILE A 38 2.967 -11.508 3.685 1.00 41.45 H new ATOM 0 HD13 ILE A 38 3.827 -11.188 5.210 1.00 41.45 H new ATOM 539 N ILE A 39 6.119 -6.620 3.508 1.00 72.32 N ATOM 540 CA ILE A 39 6.909 -5.623 2.802 1.00 40.04 C ATOM 541 C ILE A 39 7.935 -4.999 3.764 1.00 22.23 C ATOM 542 O ILE A 39 8.822 -4.264 3.336 1.00 34.31 O ATOM 543 CB ILE A 39 5.943 -4.572 2.187 1.00 33.23 C ATOM 544 CG1 ILE A 39 4.793 -5.180 1.346 1.00 74.52 C ATOM 545 CG2 ILE A 39 6.710 -3.554 1.331 1.00 62.41 C ATOM 546 CD1 ILE A 39 5.199 -6.016 0.135 1.00 43.21 C ATOM 0 H ILE A 39 5.313 -6.211 3.981 1.00 72.32 H new ATOM 0 HA ILE A 39 7.476 -6.075 1.988 1.00 40.04 H new ATOM 0 HB ILE A 39 5.483 -4.079 3.043 1.00 33.23 H new ATOM 0 HG12 ILE A 39 4.184 -5.803 2.001 1.00 74.52 H new ATOM 0 HG13 ILE A 39 4.157 -4.365 1.000 1.00 74.52 H new ATOM 0 HG21 ILE A 39 6.011 -2.830 0.913 1.00 62.41 H new ATOM 0 HG22 ILE A 39 7.442 -3.035 1.951 1.00 62.41 H new ATOM 0 HG23 ILE A 39 7.223 -4.073 0.521 1.00 62.41 H new ATOM 0 HD11 ILE A 39 4.305 -6.384 -0.369 1.00 43.21 H new ATOM 0 HD12 ILE A 39 5.777 -5.401 -0.555 1.00 43.21 H new ATOM 0 HD13 ILE A 39 5.805 -6.861 0.463 1.00 43.21 H new ATOM 557 N GLY A 40 7.828 -5.264 5.073 1.00 63.35 N ATOM 558 CA GLY A 40 8.830 -4.849 6.043 1.00 4.21 C ATOM 559 C GLY A 40 8.912 -3.332 6.223 1.00 23.21 C ATOM 560 O GLY A 40 9.899 -2.835 6.762 1.00 55.33 O ATOM 0 H GLY A 40 7.043 -5.772 5.481 1.00 63.35 H new ATOM 0 HA2 GLY A 40 8.606 -5.310 7.005 1.00 4.21 H new ATOM 0 HA3 GLY A 40 9.805 -5.223 5.730 1.00 4.21 H new ATOM 564 N TRP A 41 7.885 -2.591 5.795 1.00 61.42 N ATOM 565 CA TRP A 41 7.825 -1.131 5.807 1.00 74.14 C ATOM 566 C TRP A 41 7.481 -0.543 7.182 1.00 62.11 C ATOM 567 O TRP A 41 6.913 0.556 7.277 1.00 41.04 O ATOM 568 CB TRP A 41 6.854 -0.680 4.709 1.00 15.31 C ATOM 569 CG TRP A 41 5.381 -0.859 4.922 1.00 3.44 C ATOM 570 CD1 TRP A 41 4.773 -1.468 5.965 1.00 0.41 C ATOM 571 CD2 TRP A 41 4.311 -0.405 4.047 1.00 72.55 C ATOM 572 NE1 TRP A 41 3.408 -1.368 5.827 1.00 41.25 N ATOM 573 CE2 TRP A 41 3.059 -0.752 4.642 1.00 40.22 C ATOM 574 CE3 TRP A 41 4.280 0.215 2.779 1.00 12.14 C ATOM 575 CZ2 TRP A 41 1.833 -0.478 4.017 1.00 52.11 C ATOM 576 CZ3 TRP A 41 3.056 0.488 2.152 1.00 44.31 C ATOM 577 CH2 TRP A 41 1.843 0.186 2.782 1.00 51.43 C ATOM 0 H TRP A 41 7.038 -3.013 5.415 1.00 61.42 H new ATOM 0 HA TRP A 41 8.820 -0.739 5.597 1.00 74.14 H new ATOM 0 HB2 TRP A 41 7.033 0.379 4.526 1.00 15.31 H new ATOM 0 HB3 TRP A 41 7.121 -1.211 3.795 1.00 15.31 H new ATOM 0 HD1 TRP A 41 5.282 -1.958 6.782 1.00 0.41 H new ATOM 0 HE1 TRP A 41 2.736 -1.707 6.516 1.00 41.25 H new ATOM 0 HE3 TRP A 41 5.205 0.481 2.289 1.00 12.14 H new ATOM 0 HZ2 TRP A 41 0.901 -0.772 4.477 1.00 52.11 H new ATOM 0 HZ3 TRP A 41 3.049 0.937 1.170 1.00 44.31 H new ATOM 0 HH2 TRP A 41 0.910 0.466 2.315 1.00 51.43 H new ATOM 587 N GLY A 42 7.740 -1.308 8.243 1.00 51.15 N ATOM 588 CA GLY A 42 7.384 -1.003 9.610 1.00 64.51 C ATOM 589 C GLY A 42 5.890 -0.769 9.631 1.00 61.11 C ATOM 590 O GLY A 42 5.136 -1.682 9.327 1.00 75.35 O ATOM 0 H GLY A 42 8.228 -2.199 8.157 1.00 51.15 H new ATOM 0 HA2 GLY A 42 7.656 -1.825 10.273 1.00 64.51 H new ATOM 0 HA3 GLY A 42 7.918 -0.120 9.961 1.00 64.51 H new ATOM 594 N THR A 43 5.453 0.457 9.894 1.00 44.23 N ATOM 595 CA THR A 43 4.034 0.825 9.872 1.00 25.41 C ATOM 596 C THR A 43 3.872 2.348 9.705 1.00 25.13 C ATOM 597 O THR A 43 2.834 2.924 10.030 1.00 31.03 O ATOM 598 CB THR A 43 3.359 0.206 11.111 1.00 71.33 C ATOM 599 OG1 THR A 43 1.946 0.247 11.089 1.00 74.02 O ATOM 600 CG2 THR A 43 3.870 0.840 12.386 1.00 53.21 C ATOM 0 H THR A 43 6.073 1.231 10.130 1.00 44.23 H new ATOM 0 HA THR A 43 3.516 0.415 9.005 1.00 25.41 H new ATOM 0 HB THR A 43 3.636 -0.848 11.082 1.00 71.33 H new ATOM 0 HG1 THR A 43 1.649 1.103 10.715 1.00 74.02 H new ATOM 0 HG21 THR A 43 3.376 0.383 13.243 1.00 53.21 H new ATOM 0 HG22 THR A 43 4.946 0.686 12.463 1.00 53.21 H new ATOM 0 HG23 THR A 43 3.657 1.909 12.372 1.00 53.21 H new ATOM 608 N GLY A 44 4.899 3.028 9.197 1.00 50.31 N ATOM 609 CA GLY A 44 5.015 4.476 9.281 1.00 73.11 C ATOM 610 C GLY A 44 5.831 5.085 8.157 1.00 71.45 C ATOM 611 O GLY A 44 6.003 4.484 7.092 1.00 3.21 O ATOM 0 H GLY A 44 5.678 2.582 8.712 1.00 50.31 H new ATOM 0 HA2 GLY A 44 4.017 4.913 9.272 1.00 73.11 H new ATOM 0 HA3 GLY A 44 5.471 4.741 10.235 1.00 73.11 H new ATOM 615 N ALA A 45 6.246 6.329 8.378 1.00 65.45 N ATOM 616 CA ALA A 45 7.127 7.071 7.478 1.00 62.25 C ATOM 617 C ALA A 45 8.523 6.479 7.595 1.00 72.21 C ATOM 618 O ALA A 45 9.069 5.970 6.621 1.00 14.14 O ATOM 619 CB ALA A 45 7.145 8.578 7.794 1.00 1.41 C ATOM 0 H ALA A 45 5.974 6.861 9.204 1.00 65.45 H new ATOM 0 HA ALA A 45 6.755 6.978 6.458 1.00 62.25 H new ATOM 0 HB1 ALA A 45 7.813 9.087 7.100 1.00 1.41 H new ATOM 0 HB2 ALA A 45 6.138 8.983 7.692 1.00 1.41 H new ATOM 0 HB3 ALA A 45 7.496 8.732 8.814 1.00 1.41 H new ATOM 625 N GLU A 46 9.069 6.514 8.808 1.00 43.42 N ATOM 626 CA GLU A 46 10.374 5.988 9.154 1.00 51.04 C ATOM 627 C GLU A 46 10.478 4.507 8.793 1.00 30.12 C ATOM 628 O GLU A 46 11.434 4.091 8.141 1.00 70.45 O ATOM 629 CB GLU A 46 10.574 6.237 10.658 1.00 63.44 C ATOM 630 CG GLU A 46 11.747 7.172 10.895 1.00 52.22 C ATOM 631 CD GLU A 46 13.041 6.455 10.559 1.00 44.22 C ATOM 632 OE1 GLU A 46 13.508 5.679 11.422 1.00 44.44 O ATOM 633 OE2 GLU A 46 13.535 6.673 9.430 1.00 4.20 O ATOM 0 H GLU A 46 8.588 6.929 9.606 1.00 43.42 H new ATOM 0 HA GLU A 46 11.162 6.486 8.590 1.00 51.04 H new ATOM 0 HB2 GLU A 46 9.668 6.667 11.084 1.00 63.44 H new ATOM 0 HB3 GLU A 46 10.748 5.290 11.169 1.00 63.44 H new ATOM 0 HG2 GLU A 46 11.644 8.066 10.280 1.00 52.22 H new ATOM 0 HG3 GLU A 46 11.760 7.500 11.934 1.00 52.22 H new ATOM 638 N GLY A 47 9.451 3.730 9.149 1.00 41.25 N ATOM 639 CA GLY A 47 9.376 2.314 8.848 1.00 5.11 C ATOM 640 C GLY A 47 9.483 2.032 7.353 1.00 21.50 C ATOM 641 O GLY A 47 10.001 0.985 6.974 1.00 70.15 O ATOM 0 H GLY A 47 8.642 4.080 9.661 1.00 41.25 H new ATOM 0 HA2 GLY A 47 10.176 1.791 9.372 1.00 5.11 H new ATOM 0 HA3 GLY A 47 8.434 1.915 9.224 1.00 5.11 H new ATOM 645 N ALA A 48 8.989 2.926 6.494 1.00 5.42 N ATOM 646 CA ALA A 48 9.168 2.772 5.063 1.00 62.35 C ATOM 647 C ALA A 48 10.562 3.253 4.650 1.00 61.35 C ATOM 648 O ALA A 48 11.190 2.601 3.822 1.00 43.24 O ATOM 649 CB ALA A 48 8.059 3.518 4.317 1.00 10.41 C ATOM 0 H ALA A 48 8.466 3.757 6.770 1.00 5.42 H new ATOM 0 HA ALA A 48 9.096 1.718 4.796 1.00 62.35 H new ATOM 0 HB1 ALA A 48 8.199 3.398 3.243 1.00 10.41 H new ATOM 0 HB2 ALA A 48 7.090 3.111 4.604 1.00 10.41 H new ATOM 0 HB3 ALA A 48 8.097 4.577 4.572 1.00 10.41 H new ATOM 655 N ARG A 49 11.050 4.381 5.185 1.00 33.20 N ATOM 656 CA ARG A 49 12.313 4.996 4.772 1.00 3.13 C ATOM 657 C ARG A 49 13.469 4.008 4.896 1.00 1.20 C ATOM 658 O ARG A 49 14.207 3.855 3.919 1.00 3.44 O ATOM 659 CB ARG A 49 12.603 6.271 5.598 1.00 64.42 C ATOM 660 CG ARG A 49 13.848 7.043 5.100 1.00 1.34 C ATOM 661 CD ARG A 49 14.182 8.250 5.991 1.00 50.22 C ATOM 662 NE ARG A 49 15.362 8.999 5.496 1.00 42.43 N ATOM 663 CZ ARG A 49 16.007 10.003 6.124 1.00 62.11 C ATOM 664 NH1 ARG A 49 15.622 10.424 7.330 1.00 73.13 N ATOM 665 NH2 ARG A 49 17.049 10.603 5.562 1.00 72.51 N ATOM 0 H ARG A 49 10.571 4.895 5.924 1.00 33.20 H new ATOM 0 HA ARG A 49 12.217 5.280 3.724 1.00 3.13 H new ATOM 0 HB2 ARG A 49 11.735 6.928 5.558 1.00 64.42 H new ATOM 0 HB3 ARG A 49 12.747 5.996 6.643 1.00 64.42 H new ATOM 0 HG2 ARG A 49 14.703 6.368 5.071 1.00 1.34 H new ATOM 0 HG3 ARG A 49 13.677 7.384 4.079 1.00 1.34 H new ATOM 0 HD2 ARG A 49 13.321 8.918 6.034 1.00 50.22 H new ATOM 0 HD3 ARG A 49 14.371 7.908 7.008 1.00 50.22 H new ATOM 0 HE ARG A 49 15.725 8.726 4.583 1.00 42.43 H new ATOM 0 HH11 ARG A 49 14.827 9.985 7.794 1.00 73.13 H new ATOM 0 HH12 ARG A 49 16.123 11.185 7.788 1.00 73.13 H new ATOM 0 HH21 ARG A 49 17.373 10.306 4.642 1.00 72.51 H new ATOM 0 HH22 ARG A 49 17.526 11.361 6.051 1.00 72.51 H new ATOM 676 N GLN A 50 13.661 3.371 6.057 1.00 33.34 N ATOM 677 CA GLN A 50 14.883 2.615 6.302 1.00 3.40 C ATOM 678 C GLN A 50 14.934 1.379 5.407 1.00 24.54 C ATOM 679 O GLN A 50 16.023 1.023 4.972 1.00 74.21 O ATOM 680 CB GLN A 50 15.097 2.268 7.789 1.00 24.20 C ATOM 681 CG GLN A 50 15.074 3.473 8.745 1.00 14.01 C ATOM 682 CD GLN A 50 16.031 4.574 8.307 1.00 52.35 C ATOM 683 OE1 GLN A 50 17.248 4.438 8.361 1.00 65.44 O ATOM 684 NE2 GLN A 50 15.514 5.698 7.868 1.00 51.25 N ATOM 0 H GLN A 50 12.993 3.366 6.828 1.00 33.34 H new ATOM 0 HA GLN A 50 15.719 3.263 6.038 1.00 3.40 H new ATOM 0 HB2 GLN A 50 14.325 1.563 8.097 1.00 24.20 H new ATOM 0 HB3 GLN A 50 16.054 1.758 7.894 1.00 24.20 H new ATOM 0 HG2 GLN A 50 14.062 3.874 8.797 1.00 14.01 H new ATOM 0 HG3 GLN A 50 15.338 3.143 9.750 1.00 14.01 H new ATOM 0 HE21 GLN A 50 14.501 5.810 7.823 1.00 51.25 H new ATOM 0 HE22 GLN A 50 16.125 6.459 7.572 1.00 51.25 H new ATOM 691 N ARG A 51 13.801 0.758 5.050 1.00 70.32 N ATOM 692 CA ARG A 51 13.793 -0.401 4.150 1.00 4.04 C ATOM 693 C ARG A 51 13.734 -0.026 2.672 1.00 0.30 C ATOM 694 O ARG A 51 14.166 -0.821 1.840 1.00 15.30 O ATOM 695 CB ARG A 51 12.631 -1.350 4.529 1.00 72.22 C ATOM 696 CG ARG A 51 12.813 -2.825 4.134 1.00 64.35 C ATOM 697 CD ARG A 51 13.856 -3.523 5.023 1.00 21.20 C ATOM 698 NE ARG A 51 13.923 -4.971 4.765 1.00 63.11 N ATOM 699 CZ ARG A 51 14.436 -5.914 5.565 1.00 31.32 C ATOM 700 NH1 ARG A 51 14.947 -5.614 6.756 1.00 22.11 N ATOM 701 NH2 ARG A 51 14.426 -7.179 5.168 1.00 2.10 N ATOM 0 H ARG A 51 12.876 1.041 5.373 1.00 70.32 H new ATOM 0 HA ARG A 51 14.745 -0.914 4.284 1.00 4.04 H new ATOM 0 HB2 ARG A 51 12.482 -1.298 5.608 1.00 72.22 H new ATOM 0 HB3 ARG A 51 11.718 -0.979 4.063 1.00 72.22 H new ATOM 0 HG2 ARG A 51 11.858 -3.345 4.215 1.00 64.35 H new ATOM 0 HG3 ARG A 51 13.122 -2.888 3.091 1.00 64.35 H new ATOM 0 HD2 ARG A 51 14.836 -3.078 4.849 1.00 21.20 H new ATOM 0 HD3 ARG A 51 13.610 -3.353 6.071 1.00 21.20 H new ATOM 0 HE ARG A 51 13.535 -5.291 3.878 1.00 63.11 H new ATOM 0 HH11 ARG A 51 14.954 -4.646 7.079 1.00 22.11 H new ATOM 0 HH12 ARG A 51 15.332 -6.351 7.346 1.00 22.11 H new ATOM 0 HH21 ARG A 51 14.030 -7.426 4.261 1.00 2.10 H new ATOM 0 HH22 ARG A 51 14.814 -7.905 5.770 1.00 2.10 H new ATOM 712 N LEU A 52 13.227 1.164 2.341 1.00 40.34 N ATOM 713 CA LEU A 52 13.102 1.646 0.973 1.00 74.44 C ATOM 714 C LEU A 52 14.453 1.751 0.306 1.00 51.12 C ATOM 715 O LEU A 52 14.711 1.022 -0.648 1.00 55.34 O ATOM 716 CB LEU A 52 12.431 3.023 0.949 1.00 71.53 C ATOM 717 CG LEU A 52 12.239 3.683 -0.444 1.00 30.43 C ATOM 718 CD1 LEU A 52 12.744 5.114 -0.473 1.00 53.43 C ATOM 719 CD2 LEU A 52 12.675 2.967 -1.731 1.00 34.23 C ATOM 0 H LEU A 52 12.886 1.830 3.035 1.00 40.34 H new ATOM 0 HA LEU A 52 12.490 0.927 0.429 1.00 74.44 H new ATOM 0 HB2 LEU A 52 11.452 2.932 1.420 1.00 71.53 H new ATOM 0 HB3 LEU A 52 13.021 3.700 1.567 1.00 71.53 H new ATOM 0 HG LEU A 52 11.153 3.607 -0.502 1.00 30.43 H new ATOM 0 HD11 LEU A 52 12.589 5.534 -1.467 1.00 53.43 H new ATOM 0 HD12 LEU A 52 12.199 5.707 0.261 1.00 53.43 H new ATOM 0 HD13 LEU A 52 13.807 5.129 -0.234 1.00 53.43 H new ATOM 0 HD21 LEU A 52 12.453 3.598 -2.592 1.00 34.23 H new ATOM 0 HD22 LEU A 52 13.746 2.770 -1.692 1.00 34.23 H new ATOM 0 HD23 LEU A 52 12.136 2.024 -1.824 1.00 34.23 H new ATOM 730 N GLU A 53 15.237 2.757 0.712 1.00 52.33 N ATOM 731 CA GLU A 53 16.202 3.382 -0.195 1.00 14.40 C ATOM 732 C GLU A 53 17.223 2.397 -0.727 1.00 64.53 C ATOM 733 O GLU A 53 17.834 2.614 -1.772 1.00 73.55 O ATOM 734 CB GLU A 53 16.981 4.517 0.502 1.00 12.13 C ATOM 735 CG GLU A 53 16.085 5.677 0.920 1.00 34.10 C ATOM 736 CD GLU A 53 16.783 6.832 1.643 1.00 72.51 C ATOM 737 OE1 GLU A 53 17.843 7.295 1.170 1.00 65.51 O ATOM 738 OE2 GLU A 53 16.144 7.440 2.538 1.00 12.42 O ATOM 0 H GLU A 53 15.222 3.151 1.653 1.00 52.33 H new ATOM 0 HA GLU A 53 15.606 3.773 -1.020 1.00 14.40 H new ATOM 0 HB2 GLU A 53 17.486 4.118 1.382 1.00 12.13 H new ATOM 0 HB3 GLU A 53 17.756 4.886 -0.170 1.00 12.13 H new ATOM 0 HG2 GLU A 53 15.597 6.073 0.030 1.00 34.10 H new ATOM 0 HG3 GLU A 53 15.300 5.289 1.569 1.00 34.10 H new ATOM 743 N ASN A 54 17.380 1.323 0.031 1.00 32.40 N ATOM 744 CA ASN A 54 18.524 0.468 0.081 1.00 74.42 C ATOM 745 C ASN A 54 18.025 -0.978 0.016 1.00 44.24 C ATOM 746 O ASN A 54 18.537 -1.858 0.715 1.00 42.02 O ATOM 747 CB ASN A 54 19.298 0.820 1.372 1.00 15.14 C ATOM 748 CG ASN A 54 18.369 1.023 2.572 1.00 2.33 C ATOM 749 OD1 ASN A 54 18.376 2.069 3.217 1.00 22.12 O ATOM 750 ND2 ASN A 54 17.423 0.127 2.796 1.00 24.50 N ATOM 0 H ASN A 54 16.647 1.016 0.670 1.00 32.40 H new ATOM 0 HA ASN A 54 19.213 0.598 -0.753 1.00 74.42 H new ATOM 0 HB2 ASN A 54 20.007 0.023 1.596 1.00 15.14 H new ATOM 0 HB3 ASN A 54 19.879 1.728 1.208 1.00 15.14 H new ATOM 0 HD21 ASN A 54 16.707 0.307 3.500 1.00 24.50 H new ATOM 0 HD22 ASN A 54 17.409 -0.744 2.265 1.00 24.50 H new ATOM 756 N ILE A 55 16.946 -1.199 -0.745 1.00 42.32 N ATOM 757 CA ILE A 55 16.303 -2.493 -0.910 1.00 74.32 C ATOM 758 C ILE A 55 17.314 -3.522 -1.410 1.00 0.03 C ATOM 759 O ILE A 55 18.331 -3.150 -2.000 1.00 62.55 O ATOM 760 CB ILE A 55 15.100 -2.353 -1.868 1.00 71.21 C ATOM 761 CG1 ILE A 55 14.085 -3.510 -1.710 1.00 13.02 C ATOM 762 CG2 ILE A 55 15.545 -2.225 -3.335 1.00 21.52 C ATOM 763 CD1 ILE A 55 12.714 -2.970 -1.310 1.00 20.31 C ATOM 0 H ILE A 55 16.489 -0.457 -1.275 1.00 42.32 H new ATOM 0 HA ILE A 55 15.928 -2.846 0.051 1.00 74.32 H new ATOM 0 HB ILE A 55 14.596 -1.429 -1.585 1.00 71.21 H new ATOM 0 HG12 ILE A 55 14.006 -4.062 -2.647 1.00 13.02 H new ATOM 0 HG13 ILE A 55 14.440 -4.212 -0.955 1.00 13.02 H new ATOM 0 HG21 ILE A 55 14.667 -2.129 -3.974 1.00 21.52 H new ATOM 0 HG22 ILE A 55 16.175 -1.343 -3.448 1.00 21.52 H new ATOM 0 HG23 ILE A 55 16.108 -3.113 -3.623 1.00 21.52 H new ATOM 0 HD11 ILE A 55 12.014 -3.798 -1.204 1.00 20.31 H new ATOM 0 HD12 ILE A 55 12.795 -2.439 -0.362 1.00 20.31 H new ATOM 0 HD13 ILE A 55 12.354 -2.287 -2.079 1.00 20.31 H new ATOM 774 N GLN A 56 17.001 -4.804 -1.243 1.00 4.23 N ATOM 775 CA GLN A 56 17.803 -5.902 -1.745 1.00 60.31 C ATOM 776 C GLN A 56 16.944 -6.733 -2.701 1.00 20.32 C ATOM 777 O GLN A 56 15.724 -6.810 -2.527 1.00 41.13 O ATOM 778 CB GLN A 56 18.260 -6.804 -0.593 1.00 62.13 C ATOM 779 CG GLN A 56 18.839 -6.072 0.616 1.00 42.35 C ATOM 780 CD GLN A 56 20.233 -5.517 0.354 1.00 32.43 C ATOM 781 OE1 GLN A 56 21.212 -6.245 0.506 1.00 53.11 O ATOM 782 NE2 GLN A 56 20.351 -4.258 -0.026 1.00 51.15 N ATOM 0 H GLN A 56 16.165 -5.109 -0.744 1.00 4.23 H new ATOM 0 HA GLN A 56 18.680 -5.501 -2.253 1.00 60.31 H new ATOM 0 HB2 GLN A 56 17.411 -7.403 -0.263 1.00 62.13 H new ATOM 0 HB3 GLN A 56 19.011 -7.497 -0.972 1.00 62.13 H new ATOM 0 HG2 GLN A 56 18.173 -5.255 0.894 1.00 42.35 H new ATOM 0 HG3 GLN A 56 18.878 -6.755 1.465 1.00 42.35 H new ATOM 0 HE21 GLN A 56 19.518 -3.680 -0.143 1.00 51.15 H new ATOM 0 HE22 GLN A 56 21.275 -3.863 -0.203 1.00 51.15 H new ATOM 789 N PRO A 57 17.574 -7.472 -3.620 1.00 44.35 N ATOM 790 CA PRO A 57 16.892 -8.383 -4.525 1.00 13.22 C ATOM 791 C PRO A 57 16.266 -9.551 -3.757 1.00 75.52 C ATOM 792 O PRO A 57 15.243 -10.093 -4.160 1.00 75.34 O ATOM 793 CB PRO A 57 17.955 -8.832 -5.525 1.00 40.15 C ATOM 794 CG PRO A 57 19.293 -8.610 -4.816 1.00 53.02 C ATOM 795 CD PRO A 57 19.010 -7.518 -3.789 1.00 3.34 C ATOM 0 HA PRO A 57 16.058 -7.909 -5.042 1.00 13.22 H new ATOM 0 HB2 PRO A 57 17.822 -9.879 -5.797 1.00 40.15 H new ATOM 0 HB3 PRO A 57 17.897 -8.254 -6.447 1.00 40.15 H new ATOM 0 HG2 PRO A 57 19.643 -9.524 -4.336 1.00 53.02 H new ATOM 0 HG3 PRO A 57 20.067 -8.302 -5.519 1.00 53.02 H new ATOM 0 HD2 PRO A 57 19.505 -7.738 -2.843 1.00 3.34 H new ATOM 0 HD3 PRO A 57 19.391 -6.556 -4.131 1.00 3.34 H new ATOM 800 N ALA A 58 16.808 -9.912 -2.594 1.00 63.35 N ATOM 801 CA ALA A 58 16.214 -10.962 -1.787 1.00 60.23 C ATOM 802 C ALA A 58 14.915 -10.521 -1.115 1.00 1.10 C ATOM 803 O ALA A 58 14.136 -11.382 -0.704 1.00 55.31 O ATOM 804 CB ALA A 58 17.228 -11.407 -0.743 1.00 24.31 C ATOM 0 H ALA A 58 17.650 -9.494 -2.198 1.00 63.35 H new ATOM 0 HA ALA A 58 15.954 -11.792 -2.444 1.00 60.23 H new ATOM 0 HB1 ALA A 58 16.795 -12.196 -0.129 1.00 24.31 H new ATOM 0 HB2 ALA A 58 18.122 -11.783 -1.241 1.00 24.31 H new ATOM 0 HB3 ALA A 58 17.495 -10.560 -0.111 1.00 24.31 H new ATOM 810 N ASP A 59 14.686 -9.211 -0.991 1.00 21.21 N ATOM 811 CA ASP A 59 13.542 -8.638 -0.285 1.00 4.44 C ATOM 812 C ASP A 59 12.341 -8.469 -1.214 1.00 0.22 C ATOM 813 O ASP A 59 11.213 -8.365 -0.746 1.00 33.20 O ATOM 814 CB ASP A 59 13.933 -7.287 0.340 1.00 13.42 C ATOM 815 CG ASP A 59 13.628 -7.234 1.840 1.00 53.23 C ATOM 816 OD1 ASP A 59 14.052 -8.158 2.571 1.00 12.31 O ATOM 817 OD2 ASP A 59 13.132 -6.197 2.336 1.00 21.21 O ATOM 0 H ASP A 59 15.306 -8.505 -1.388 1.00 21.21 H new ATOM 0 HA ASP A 59 13.252 -9.328 0.508 1.00 4.44 H new ATOM 0 HB2 ASP A 59 14.997 -7.109 0.181 1.00 13.42 H new ATOM 0 HB3 ASP A 59 13.396 -6.485 -0.167 1.00 13.42 H new ATOM 821 N VAL A 60 12.548 -8.503 -2.533 1.00 43.11 N ATOM 822 CA VAL A 60 11.443 -8.598 -3.486 1.00 2.01 C ATOM 823 C VAL A 60 11.042 -10.068 -3.596 1.00 13.33 C ATOM 824 O VAL A 60 9.865 -10.401 -3.467 1.00 15.14 O ATOM 825 CB VAL A 60 11.791 -7.913 -4.823 1.00 2.10 C ATOM 826 CG1 VAL A 60 13.175 -8.293 -5.336 1.00 74.33 C ATOM 827 CG2 VAL A 60 10.773 -8.207 -5.929 1.00 13.02 C ATOM 0 H VAL A 60 13.472 -8.466 -2.964 1.00 43.11 H new ATOM 0 HA VAL A 60 10.569 -8.047 -3.137 1.00 2.01 H new ATOM 0 HB VAL A 60 11.770 -6.848 -4.592 1.00 2.10 H new ATOM 0 HG11 VAL A 60 13.366 -7.782 -6.279 1.00 74.33 H new ATOM 0 HG12 VAL A 60 13.928 -7.999 -4.605 1.00 74.33 H new ATOM 0 HG13 VAL A 60 13.222 -9.371 -5.491 1.00 74.33 H new ATOM 0 HG21 VAL A 60 11.073 -7.697 -6.845 1.00 13.02 H new ATOM 0 HG22 VAL A 60 10.731 -9.281 -6.109 1.00 13.02 H new ATOM 0 HG23 VAL A 60 9.789 -7.852 -5.622 1.00 13.02 H new ATOM 837 N SER A 61 12.009 -10.972 -3.744 1.00 40.33 N ATOM 838 CA SER A 61 11.792 -12.407 -3.830 1.00 3.30 C ATOM 839 C SER A 61 11.505 -13.066 -2.471 1.00 35.13 C ATOM 840 O SER A 61 11.770 -14.253 -2.300 1.00 41.24 O ATOM 841 CB SER A 61 13.016 -13.050 -4.463 1.00 73.13 C ATOM 842 OG SER A 61 13.563 -12.304 -5.539 1.00 15.03 O ATOM 0 H SER A 61 12.994 -10.714 -3.809 1.00 40.33 H new ATOM 0 HA SER A 61 10.903 -12.564 -4.440 1.00 3.30 H new ATOM 0 HB2 SER A 61 13.782 -13.182 -3.699 1.00 73.13 H new ATOM 0 HB3 SER A 61 12.748 -14.044 -4.821 1.00 73.13 H new ATOM 0 HG SER A 61 14.139 -11.594 -5.186 1.00 15.03 H new ATOM 847 N MET A 62 10.995 -12.333 -1.480 1.00 74.32 N ATOM 848 CA MET A 62 10.196 -12.909 -0.409 1.00 1.01 C ATOM 849 C MET A 62 8.723 -12.677 -0.741 1.00 1.40 C ATOM 850 O MET A 62 7.893 -13.540 -0.513 1.00 14.32 O ATOM 851 CB MET A 62 10.606 -12.369 0.969 1.00 63.33 C ATOM 852 CG MET A 62 10.247 -10.900 1.215 1.00 2.01 C ATOM 853 SD MET A 62 10.882 -10.173 2.748 1.00 72.32 S ATOM 854 CE MET A 62 10.268 -11.375 3.956 1.00 22.22 C ATOM 0 H MET A 62 11.127 -11.325 -1.402 1.00 74.32 H new ATOM 0 HA MET A 62 10.373 -13.982 -0.342 1.00 1.01 H new ATOM 0 HB2 MET A 62 10.132 -12.978 1.738 1.00 63.33 H new ATOM 0 HB3 MET A 62 11.683 -12.490 1.086 1.00 63.33 H new ATOM 0 HG2 MET A 62 10.617 -10.311 0.376 1.00 2.01 H new ATOM 0 HG3 MET A 62 9.161 -10.807 1.215 1.00 2.01 H new ATOM 0 HE1 MET A 62 10.385 -10.972 4.962 1.00 22.22 H new ATOM 0 HE2 MET A 62 9.214 -11.576 3.766 1.00 22.22 H new ATOM 0 HE3 MET A 62 10.836 -12.301 3.868 1.00 22.22 H new ATOM 862 N ILE A 63 8.368 -11.535 -1.326 1.00 34.14 N ATOM 863 CA ILE A 63 6.988 -11.080 -1.398 1.00 23.33 C ATOM 864 C ILE A 63 6.143 -12.020 -2.266 1.00 35.14 C ATOM 865 O ILE A 63 4.994 -12.291 -1.920 1.00 22.51 O ATOM 866 CB ILE A 63 6.975 -9.599 -1.847 1.00 21.24 C ATOM 867 CG1 ILE A 63 7.706 -8.731 -0.791 1.00 64.33 C ATOM 868 CG2 ILE A 63 5.544 -9.082 -2.057 1.00 33.23 C ATOM 869 CD1 ILE A 63 8.088 -7.337 -1.289 1.00 74.11 C ATOM 0 H ILE A 63 9.035 -10.899 -1.764 1.00 34.14 H new ATOM 0 HA ILE A 63 6.515 -11.118 -0.417 1.00 23.33 H new ATOM 0 HB ILE A 63 7.493 -9.530 -2.804 1.00 21.24 H new ATOM 0 HG12 ILE A 63 7.067 -8.630 0.086 1.00 64.33 H new ATOM 0 HG13 ILE A 63 8.609 -9.251 -0.470 1.00 64.33 H new ATOM 0 HG21 ILE A 63 5.577 -8.039 -2.372 1.00 33.23 H new ATOM 0 HG22 ILE A 63 5.051 -9.678 -2.825 1.00 33.23 H new ATOM 0 HG23 ILE A 63 4.988 -9.162 -1.123 1.00 33.23 H new ATOM 0 HD11 ILE A 63 8.595 -6.792 -0.492 1.00 74.11 H new ATOM 0 HD12 ILE A 63 8.753 -7.427 -2.148 1.00 74.11 H new ATOM 0 HD13 ILE A 63 7.188 -6.796 -1.583 1.00 74.11 H new ATOM 880 N LYS A 64 6.691 -12.594 -3.343 1.00 31.13 N ATOM 881 CA LYS A 64 5.908 -13.533 -4.156 1.00 34.44 C ATOM 882 C LYS A 64 5.668 -14.849 -3.428 1.00 22.22 C ATOM 883 O LYS A 64 4.685 -15.527 -3.729 1.00 11.40 O ATOM 884 CB LYS A 64 6.523 -13.833 -5.528 1.00 12.11 C ATOM 885 CG LYS A 64 7.041 -12.604 -6.284 1.00 2.34 C ATOM 886 CD LYS A 64 8.556 -12.448 -6.116 1.00 3.03 C ATOM 887 CE LYS A 64 9.114 -11.212 -6.837 1.00 21.44 C ATOM 888 NZ LYS A 64 8.970 -11.305 -8.307 1.00 15.24 N ATOM 0 H LYS A 64 7.645 -12.432 -3.666 1.00 31.13 H new ATOM 0 HA LYS A 64 4.961 -13.020 -4.323 1.00 34.44 H new ATOM 0 HB2 LYS A 64 7.347 -14.534 -5.396 1.00 12.11 H new ATOM 0 HB3 LYS A 64 5.775 -14.332 -6.144 1.00 12.11 H new ATOM 0 HG2 LYS A 64 6.797 -12.696 -7.342 1.00 2.34 H new ATOM 0 HG3 LYS A 64 6.538 -11.709 -5.917 1.00 2.34 H new ATOM 0 HD2 LYS A 64 8.794 -12.381 -5.054 1.00 3.03 H new ATOM 0 HD3 LYS A 64 9.052 -13.340 -6.498 1.00 3.03 H new ATOM 0 HE2 LYS A 64 8.597 -10.322 -6.479 1.00 21.44 H new ATOM 0 HE3 LYS A 64 10.168 -11.092 -6.584 1.00 21.44 H new ATOM 0 HZ1 LYS A 64 9.852 -10.994 -8.763 1.00 15.24 H new ATOM 0 HZ2 LYS A 64 8.770 -12.290 -8.575 1.00 15.24 H new ATOM 0 HZ3 LYS A 64 8.186 -10.696 -8.618 1.00 15.24 H new ATOM 898 N LYS A 65 6.525 -15.229 -2.475 1.00 64.24 N ATOM 899 CA LYS A 65 6.243 -16.356 -1.593 1.00 4.31 C ATOM 900 C LYS A 65 5.083 -16.033 -0.665 1.00 11.03 C ATOM 901 O LYS A 65 4.306 -16.920 -0.326 1.00 73.55 O ATOM 902 CB LYS A 65 7.474 -16.724 -0.752 1.00 24.53 C ATOM 903 CG LYS A 65 8.614 -17.377 -1.543 1.00 23.32 C ATOM 904 CD LYS A 65 9.901 -16.550 -1.483 1.00 64.41 C ATOM 905 CE LYS A 65 11.123 -17.435 -1.768 1.00 63.24 C ATOM 906 NZ LYS A 65 12.375 -16.789 -1.327 1.00 60.22 N ATOM 0 H LYS A 65 7.419 -14.770 -2.298 1.00 64.24 H new ATOM 0 HA LYS A 65 5.979 -17.205 -2.223 1.00 4.31 H new ATOM 0 HB2 LYS A 65 7.853 -15.822 -0.272 1.00 24.53 H new ATOM 0 HB3 LYS A 65 7.165 -17.403 0.043 1.00 24.53 H new ATOM 0 HG2 LYS A 65 8.805 -18.374 -1.147 1.00 23.32 H new ATOM 0 HG3 LYS A 65 8.310 -17.500 -2.583 1.00 23.32 H new ATOM 0 HD2 LYS A 65 9.854 -15.740 -2.211 1.00 64.41 H new ATOM 0 HD3 LYS A 65 9.999 -16.090 -0.500 1.00 64.41 H new ATOM 0 HE2 LYS A 65 11.007 -18.392 -1.259 1.00 63.24 H new ATOM 0 HE3 LYS A 65 11.179 -17.647 -2.836 1.00 63.24 H new ATOM 0 HZ1 LYS A 65 13.186 -17.258 -1.779 1.00 60.22 H new ATOM 0 HZ2 LYS A 65 12.361 -15.785 -1.597 1.00 60.22 H new ATOM 0 HZ3 LYS A 65 12.461 -16.868 -0.294 1.00 60.22 H new ATOM 916 N GLN A 66 4.881 -14.760 -0.334 1.00 64.14 N ATOM 917 CA GLN A 66 3.778 -14.285 0.469 1.00 1.12 C ATOM 918 C GLN A 66 2.610 -13.956 -0.469 1.00 0.23 C ATOM 919 O GLN A 66 1.945 -12.934 -0.320 1.00 43.05 O ATOM 920 CB GLN A 66 4.225 -13.110 1.352 1.00 62.55 C ATOM 921 CG GLN A 66 5.068 -13.558 2.561 1.00 13.12 C ATOM 922 CD GLN A 66 6.567 -13.497 2.339 1.00 12.22 C ATOM 923 OE1 GLN A 66 7.118 -12.308 2.178 1.00 35.22 O flip ATOM 924 NE2 GLN A 66 7.268 -14.504 2.363 1.00 23.50 N flip ATOM 0 H GLN A 66 5.507 -14.012 -0.632 1.00 64.14 H new ATOM 0 HA GLN A 66 3.434 -15.050 1.165 1.00 1.12 H new ATOM 0 HB2 GLN A 66 4.804 -12.410 0.751 1.00 62.55 H new ATOM 0 HB3 GLN A 66 3.345 -12.573 1.707 1.00 62.55 H new ATOM 0 HG2 GLN A 66 4.814 -12.932 3.417 1.00 13.12 H new ATOM 0 HG3 GLN A 66 4.793 -14.580 2.821 1.00 13.12 H new ATOM 0 HE21 GLN A 66 6.839 -15.421 2.488 1.00 23.50 H new ATOM 0 HE22 GLN A 66 8.279 -14.424 2.258 1.00 23.50 H new ATOM 931 N GLY A 67 2.357 -14.797 -1.473 1.00 51.33 N ATOM 932 CA GLY A 67 1.079 -14.875 -2.157 1.00 60.21 C ATOM 933 C GLY A 67 0.716 -13.646 -2.969 1.00 43.11 C ATOM 934 O GLY A 67 -0.470 -13.355 -3.116 1.00 44.54 O ATOM 0 H GLY A 67 3.051 -15.451 -1.835 1.00 51.33 H new ATOM 0 HA2 GLY A 67 1.090 -15.741 -2.819 1.00 60.21 H new ATOM 0 HA3 GLY A 67 0.297 -15.049 -1.418 1.00 60.21 H new ATOM 938 N THR A 68 1.718 -12.902 -3.436 1.00 75.33 N ATOM 939 CA THR A 68 1.522 -11.563 -3.965 1.00 74.44 C ATOM 940 C THR A 68 1.981 -11.494 -5.424 1.00 62.21 C ATOM 941 O THR A 68 2.810 -12.302 -5.853 1.00 34.40 O ATOM 942 CB THR A 68 2.255 -10.587 -3.036 1.00 3.01 C ATOM 943 OG1 THR A 68 1.691 -10.678 -1.748 1.00 61.12 O ATOM 944 CG2 THR A 68 2.171 -9.115 -3.442 1.00 12.24 C ATOM 0 H THR A 68 2.688 -13.216 -3.456 1.00 75.33 H new ATOM 0 HA THR A 68 0.468 -11.286 -3.984 1.00 74.44 H new ATOM 0 HB THR A 68 3.303 -10.881 -3.084 1.00 3.01 H new ATOM 0 HG1 THR A 68 1.889 -11.558 -1.366 1.00 61.12 H new ATOM 0 HG21 THR A 68 2.720 -8.507 -2.723 1.00 12.24 H new ATOM 0 HG22 THR A 68 2.606 -8.986 -4.433 1.00 12.24 H new ATOM 0 HG23 THR A 68 1.127 -8.801 -3.460 1.00 12.24 H new ATOM 952 N THR A 69 1.473 -10.508 -6.169 1.00 40.22 N ATOM 953 CA THR A 69 1.737 -10.323 -7.591 1.00 22.42 C ATOM 954 C THR A 69 2.146 -8.874 -7.864 1.00 40.33 C ATOM 955 O THR A 69 1.901 -7.997 -7.033 1.00 4.01 O ATOM 956 CB THR A 69 0.509 -10.753 -8.414 1.00 72.21 C ATOM 957 OG1 THR A 69 -0.736 -10.375 -7.840 1.00 1.23 O ATOM 958 CG2 THR A 69 0.458 -12.271 -8.559 1.00 21.53 C ATOM 0 H THR A 69 0.849 -9.798 -5.784 1.00 40.22 H new ATOM 0 HA THR A 69 2.570 -10.956 -7.898 1.00 22.42 H new ATOM 0 HB THR A 69 0.635 -10.243 -9.369 1.00 72.21 H new ATOM 0 HG1 THR A 69 -1.468 -10.679 -8.417 1.00 1.23 H new ATOM 0 HG21 THR A 69 -0.418 -12.551 -9.144 1.00 21.53 H new ATOM 0 HG22 THR A 69 1.359 -12.619 -9.065 1.00 21.53 H new ATOM 0 HG23 THR A 69 0.397 -12.729 -7.572 1.00 21.53 H new ATOM 966 N LEU A 70 2.730 -8.618 -9.037 1.00 74.13 N ATOM 967 CA LEU A 70 3.225 -7.314 -9.465 1.00 73.33 C ATOM 968 C LEU A 70 2.111 -6.277 -9.427 1.00 43.41 C ATOM 969 O LEU A 70 2.361 -5.154 -9.008 1.00 74.51 O ATOM 970 CB LEU A 70 3.830 -7.432 -10.875 1.00 44.32 C ATOM 971 CG LEU A 70 4.440 -6.133 -11.437 1.00 63.53 C ATOM 972 CD1 LEU A 70 5.455 -5.510 -10.474 1.00 13.32 C ATOM 973 CD2 LEU A 70 5.158 -6.446 -12.757 1.00 31.34 C ATOM 0 H LEU A 70 2.875 -9.343 -9.739 1.00 74.13 H new ATOM 0 HA LEU A 70 4.004 -6.982 -8.778 1.00 73.33 H new ATOM 0 HB2 LEU A 70 4.603 -8.200 -10.858 1.00 44.32 H new ATOM 0 HB3 LEU A 70 3.054 -7.776 -11.559 1.00 44.32 H new ATOM 0 HG LEU A 70 3.626 -5.424 -11.585 1.00 63.53 H new ATOM 0 HD11 LEU A 70 5.859 -4.597 -10.912 1.00 13.32 H new ATOM 0 HD12 LEU A 70 4.964 -5.274 -9.530 1.00 13.32 H new ATOM 0 HD13 LEU A 70 6.266 -6.216 -10.294 1.00 13.32 H new ATOM 0 HD21 LEU A 70 5.592 -5.531 -13.161 1.00 31.34 H new ATOM 0 HD22 LEU A 70 5.949 -7.175 -12.577 1.00 31.34 H new ATOM 0 HD23 LEU A 70 4.444 -6.855 -13.472 1.00 31.34 H new ATOM 984 N GLU A 71 0.881 -6.675 -9.759 1.00 63.21 N ATOM 985 CA GLU A 71 -0.310 -5.841 -9.699 1.00 42.42 C ATOM 986 C GLU A 71 -0.542 -5.223 -8.316 1.00 20.42 C ATOM 987 O GLU A 71 -1.059 -4.113 -8.185 1.00 51.55 O ATOM 988 CB GLU A 71 -1.512 -6.731 -10.001 1.00 3.51 C ATOM 989 CG GLU A 71 -1.622 -7.209 -11.447 1.00 1.51 C ATOM 990 CD GLU A 71 -3.089 -7.538 -11.709 1.00 14.30 C ATOM 991 OE1 GLU A 71 -3.427 -8.715 -11.459 1.00 21.34 O ATOM 992 OE2 GLU A 71 -3.899 -6.627 -12.041 1.00 33.33 O ATOM 0 H GLU A 71 0.686 -7.621 -10.088 1.00 63.21 H new ATOM 0 HA GLU A 71 -0.180 -5.029 -10.414 1.00 42.42 H new ATOM 0 HB2 GLU A 71 -1.470 -7.604 -9.349 1.00 3.51 H new ATOM 0 HB3 GLU A 71 -2.421 -6.186 -9.746 1.00 3.51 H new ATOM 0 HG2 GLU A 71 -1.273 -6.438 -12.134 1.00 1.51 H new ATOM 0 HG3 GLU A 71 -0.997 -8.087 -11.610 1.00 1.51 H new ATOM 997 N MET A 72 -0.218 -5.967 -7.259 1.00 64.05 N ATOM 998 CA MET A 72 -0.379 -5.501 -5.896 1.00 33.24 C ATOM 999 C MET A 72 0.786 -4.601 -5.502 1.00 34.21 C ATOM 1000 O MET A 72 0.667 -3.833 -4.550 1.00 42.32 O ATOM 1001 CB MET A 72 -0.520 -6.699 -4.946 1.00 32.01 C ATOM 1002 CG MET A 72 -1.990 -7.101 -4.751 1.00 15.12 C ATOM 1003 SD MET A 72 -2.557 -8.444 -5.827 1.00 20.32 S ATOM 1004 CE MET A 72 -1.873 -9.845 -4.908 1.00 54.52 C ATOM 0 H MET A 72 0.163 -6.910 -7.331 1.00 64.05 H new ATOM 0 HA MET A 72 -1.290 -4.907 -5.823 1.00 33.24 H new ATOM 0 HB2 MET A 72 0.039 -7.546 -5.343 1.00 32.01 H new ATOM 0 HB3 MET A 72 -0.079 -6.451 -3.980 1.00 32.01 H new ATOM 0 HG2 MET A 72 -2.136 -7.399 -3.713 1.00 15.12 H new ATOM 0 HG3 MET A 72 -2.618 -6.226 -4.923 1.00 15.12 H new ATOM 0 HE1 MET A 72 -1.801 -10.711 -5.566 1.00 54.52 H new ATOM 0 HE2 MET A 72 -0.881 -9.587 -4.537 1.00 54.52 H new ATOM 0 HE3 MET A 72 -2.525 -10.082 -4.067 1.00 54.52 H new ATOM 1012 N ILE A 73 1.906 -4.652 -6.219 1.00 0.31 N ATOM 1013 CA ILE A 73 3.050 -3.800 -5.958 1.00 24.12 C ATOM 1014 C ILE A 73 2.973 -2.533 -6.816 1.00 64.13 C ATOM 1015 O ILE A 73 3.516 -1.510 -6.401 1.00 0.42 O ATOM 1016 CB ILE A 73 4.347 -4.608 -6.117 1.00 73.32 C ATOM 1017 CG1 ILE A 73 4.340 -5.857 -5.200 1.00 71.23 C ATOM 1018 CG2 ILE A 73 5.578 -3.742 -5.821 1.00 72.51 C ATOM 1019 CD1 ILE A 73 3.950 -5.613 -3.730 1.00 32.10 C ATOM 0 H ILE A 73 2.040 -5.292 -7.002 1.00 0.31 H new ATOM 0 HA ILE A 73 3.044 -3.449 -4.926 1.00 24.12 H new ATOM 0 HB ILE A 73 4.401 -4.940 -7.154 1.00 73.32 H new ATOM 0 HG12 ILE A 73 3.651 -6.589 -5.621 1.00 71.23 H new ATOM 0 HG13 ILE A 73 5.333 -6.305 -5.222 1.00 71.23 H new ATOM 0 HG21 ILE A 73 6.481 -4.340 -5.941 1.00 72.51 H new ATOM 0 HG22 ILE A 73 5.605 -2.900 -6.513 1.00 72.51 H new ATOM 0 HG23 ILE A 73 5.523 -3.369 -4.798 1.00 72.51 H new ATOM 0 HD11 ILE A 73 3.980 -6.556 -3.184 1.00 32.10 H new ATOM 0 HD12 ILE A 73 4.651 -4.911 -3.279 1.00 32.10 H new ATOM 0 HD13 ILE A 73 2.943 -5.199 -3.685 1.00 32.10 H new ATOM 1030 N THR A 74 2.194 -2.517 -7.892 1.00 33.31 N ATOM 1031 CA THR A 74 1.847 -1.274 -8.559 1.00 34.21 C ATOM 1032 C THR A 74 0.753 -0.535 -7.793 1.00 60.23 C ATOM 1033 O THR A 74 0.915 0.648 -7.511 1.00 64.25 O ATOM 1034 CB THR A 74 1.485 -1.530 -10.023 1.00 2.14 C ATOM 1035 OG1 THR A 74 0.724 -2.713 -10.164 1.00 4.22 O ATOM 1036 CG2 THR A 74 2.757 -1.668 -10.855 1.00 71.32 C ATOM 0 H THR A 74 1.792 -3.352 -8.319 1.00 33.31 H new ATOM 0 HA THR A 74 2.717 -0.618 -8.564 1.00 34.21 H new ATOM 0 HB THR A 74 0.893 -0.684 -10.371 1.00 2.14 H new ATOM 0 HG1 THR A 74 0.190 -2.857 -9.355 1.00 4.22 H new ATOM 0 HG21 THR A 74 2.492 -1.850 -11.897 1.00 71.32 H new ATOM 0 HG22 THR A 74 3.340 -0.750 -10.784 1.00 71.32 H new ATOM 0 HG23 THR A 74 3.349 -2.503 -10.480 1.00 71.32 H new ATOM 1044 N ALA A 75 -0.349 -1.182 -7.404 1.00 51.45 N ATOM 1045 CA ALA A 75 -1.513 -0.377 -7.034 1.00 43.21 C ATOM 1046 C ALA A 75 -1.287 0.495 -5.790 1.00 60.42 C ATOM 1047 O ALA A 75 -1.760 1.628 -5.756 1.00 61.32 O ATOM 1048 CB ALA A 75 -2.749 -1.248 -6.882 1.00 41.55 C ATOM 0 H ALA A 75 -0.459 -2.194 -7.339 1.00 51.45 H new ATOM 0 HA ALA A 75 -1.675 0.319 -7.857 1.00 43.21 H new ATOM 0 HB1 ALA A 75 -3.601 -0.626 -6.607 1.00 41.55 H new ATOM 0 HB2 ALA A 75 -2.958 -1.752 -7.826 1.00 41.55 H new ATOM 0 HB3 ALA A 75 -2.576 -1.992 -6.104 1.00 41.55 H new ATOM 1054 N TRP A 76 -0.537 0.018 -4.793 1.00 75.31 N ATOM 1055 CA TRP A 76 -0.198 0.811 -3.621 1.00 40.34 C ATOM 1056 C TRP A 76 1.045 1.674 -3.836 1.00 13.12 C ATOM 1057 O TRP A 76 1.386 2.398 -2.901 1.00 61.14 O ATOM 1058 CB TRP A 76 -0.033 -0.033 -2.346 1.00 35.22 C ATOM 1059 CG TRP A 76 -1.186 -0.889 -1.965 1.00 60.33 C ATOM 1060 CD1 TRP A 76 -1.433 -2.137 -2.416 1.00 41.25 C ATOM 1061 CD2 TRP A 76 -2.263 -0.556 -1.051 1.00 13.32 C ATOM 1062 NE1 TRP A 76 -2.620 -2.582 -1.867 1.00 52.55 N ATOM 1063 CE2 TRP A 76 -3.151 -1.665 -0.982 1.00 34.34 C ATOM 1064 CE3 TRP A 76 -2.582 0.586 -0.284 1.00 35.33 C ATOM 1065 CZ2 TRP A 76 -4.308 -1.628 -0.190 1.00 13.12 C ATOM 1066 CZ3 TRP A 76 -3.723 0.620 0.534 1.00 20.24 C ATOM 1067 CH2 TRP A 76 -4.587 -0.489 0.581 1.00 71.23 C ATOM 0 H TRP A 76 -0.152 -0.926 -4.781 1.00 75.31 H new ATOM 0 HA TRP A 76 -1.054 1.470 -3.475 1.00 40.34 H new ATOM 0 HB2 TRP A 76 0.841 -0.673 -2.471 1.00 35.22 H new ATOM 0 HB3 TRP A 76 0.181 0.640 -1.516 1.00 35.22 H new ATOM 0 HD1 TRP A 76 -0.806 -2.696 -3.095 1.00 41.25 H new ATOM 0 HE1 TRP A 76 -3.052 -3.479 -2.089 1.00 52.55 H new ATOM 0 HE3 TRP A 76 -1.936 1.450 -0.327 1.00 35.33 H new ATOM 0 HZ2 TRP A 76 -4.981 -2.472 -0.174 1.00 13.12 H new ATOM 0 HZ3 TRP A 76 -3.937 1.497 1.127 1.00 20.24 H new ATOM 0 HH2 TRP A 76 -5.465 -0.464 1.210 1.00 71.23 H new ATOM 1077 N GLN A 77 1.765 1.662 -4.967 1.00 22.12 N ATOM 1078 CA GLN A 77 2.724 2.703 -5.188 1.00 63.22 C ATOM 1079 C GLN A 77 1.950 3.965 -5.523 1.00 63.14 C ATOM 1080 O GLN A 77 1.944 4.937 -4.766 1.00 11.01 O ATOM 1081 CB GLN A 77 3.789 2.320 -6.182 1.00 51.45 C ATOM 1082 CG GLN A 77 3.514 2.073 -7.662 1.00 23.10 C ATOM 1083 CD GLN A 77 4.297 2.922 -8.663 1.00 20.22 C ATOM 1084 OE1 GLN A 77 5.404 3.508 -8.269 1.00 71.23 O flip ATOM 1085 NE2 GLN A 77 3.934 3.058 -9.822 1.00 32.43 N flip ATOM 0 H GLN A 77 1.693 0.962 -5.706 1.00 22.12 H new ATOM 0 HA GLN A 77 3.310 2.888 -4.288 1.00 63.22 H new ATOM 0 HB2 GLN A 77 4.545 3.104 -6.138 1.00 51.45 H new ATOM 0 HB3 GLN A 77 4.251 1.409 -5.800 1.00 51.45 H new ATOM 0 HG2 GLN A 77 3.719 1.024 -7.874 1.00 23.10 H new ATOM 0 HG3 GLN A 77 2.451 2.233 -7.841 1.00 23.10 H new ATOM 0 HE21 GLN A 77 3.076 2.609 -10.144 1.00 32.43 H new ATOM 0 HE22 GLN A 77 4.489 3.620 -10.468 1.00 32.43 H new ATOM 1092 N ASP A 78 1.207 3.859 -6.619 1.00 64.24 N ATOM 1093 CA ASP A 78 0.549 4.937 -7.322 1.00 21.40 C ATOM 1094 C ASP A 78 -0.483 5.557 -6.399 1.00 23.14 C ATOM 1095 O ASP A 78 -0.587 6.779 -6.318 1.00 64.45 O ATOM 1096 CB ASP A 78 -0.110 4.374 -8.598 1.00 63.02 C ATOM 1097 CG ASP A 78 0.162 5.276 -9.812 1.00 12.22 C ATOM 1098 OD1 ASP A 78 1.313 5.707 -10.047 1.00 54.31 O ATOM 1099 OD2 ASP A 78 -0.813 5.585 -10.537 1.00 0.30 O ATOM 0 H ASP A 78 1.042 2.956 -7.063 1.00 64.24 H new ATOM 0 HA ASP A 78 1.264 5.706 -7.615 1.00 21.40 H new ATOM 0 HB2 ASP A 78 0.271 3.372 -8.794 1.00 63.02 H new ATOM 0 HB3 ASP A 78 -1.185 4.282 -8.444 1.00 63.02 H new ATOM 1103 N PHE A 79 -1.170 4.709 -5.625 1.00 11.41 N ATOM 1104 CA PHE A 79 -2.210 5.147 -4.699 1.00 42.42 C ATOM 1105 C PHE A 79 -1.679 6.260 -3.804 1.00 10.24 C ATOM 1106 O PHE A 79 -2.320 7.300 -3.695 1.00 23.41 O ATOM 1107 CB PHE A 79 -2.732 3.971 -3.872 1.00 30.13 C ATOM 1108 CG PHE A 79 -3.633 4.332 -2.703 1.00 11.53 C ATOM 1109 CD1 PHE A 79 -4.979 4.680 -2.922 1.00 51.44 C ATOM 1110 CD2 PHE A 79 -3.136 4.282 -1.385 1.00 22.20 C ATOM 1111 CE1 PHE A 79 -5.819 4.974 -1.834 1.00 3.33 C ATOM 1112 CE2 PHE A 79 -3.971 4.591 -0.297 1.00 34.23 C ATOM 1113 CZ PHE A 79 -5.314 4.944 -0.522 1.00 62.33 C ATOM 0 H PHE A 79 -1.017 3.700 -5.626 1.00 11.41 H new ATOM 0 HA PHE A 79 -3.048 5.541 -5.274 1.00 42.42 H new ATOM 0 HB2 PHE A 79 -3.279 3.300 -4.534 1.00 30.13 H new ATOM 0 HB3 PHE A 79 -1.877 3.413 -3.489 1.00 30.13 H new ATOM 0 HD1 PHE A 79 -5.368 4.721 -3.929 1.00 51.44 H new ATOM 0 HD2 PHE A 79 -2.107 4.005 -1.210 1.00 22.20 H new ATOM 0 HE1 PHE A 79 -6.856 5.224 -2.006 1.00 3.33 H new ATOM 0 HE2 PHE A 79 -3.582 4.557 0.710 1.00 34.23 H new ATOM 0 HZ PHE A 79 -5.956 5.191 0.311 1.00 62.33 H new ATOM 1122 N TYR A 80 -0.503 6.079 -3.195 1.00 54.13 N ATOM 1123 CA TYR A 80 0.069 7.080 -2.305 1.00 32.02 C ATOM 1124 C TYR A 80 0.729 8.222 -3.064 1.00 63.13 C ATOM 1125 O TYR A 80 0.765 9.336 -2.536 1.00 54.24 O ATOM 1126 CB TYR A 80 1.095 6.427 -1.386 1.00 3.12 C ATOM 1127 CG TYR A 80 0.466 5.659 -0.249 1.00 14.23 C ATOM 1128 CD1 TYR A 80 -0.091 6.313 0.864 1.00 21.31 C ATOM 1129 CD2 TYR A 80 0.457 4.264 -0.315 1.00 30.34 C ATOM 1130 CE1 TYR A 80 -0.581 5.556 1.944 1.00 54.51 C ATOM 1131 CE2 TYR A 80 -0.002 3.489 0.762 1.00 2.13 C ATOM 1132 CZ TYR A 80 -0.506 4.144 1.913 1.00 52.25 C ATOM 1133 OH TYR A 80 -0.771 3.456 3.055 1.00 3.51 O ATOM 0 H TYR A 80 0.070 5.242 -3.307 1.00 54.13 H new ATOM 0 HA TYR A 80 -0.751 7.500 -1.723 1.00 32.02 H new ATOM 0 HB2 TYR A 80 1.720 5.752 -1.971 1.00 3.12 H new ATOM 0 HB3 TYR A 80 1.751 7.196 -0.978 1.00 3.12 H new ATOM 0 HD1 TYR A 80 -0.142 7.391 0.890 1.00 21.31 H new ATOM 0 HD2 TYR A 80 0.809 3.773 -1.210 1.00 30.34 H new ATOM 0 HE1 TYR A 80 -1.015 6.054 2.798 1.00 54.51 H new ATOM 0 HE2 TYR A 80 0.029 2.411 0.714 1.00 2.13 H new ATOM 0 HH TYR A 80 -0.682 2.495 2.886 1.00 3.51 H new ATOM 1142 N GLU A 81 1.296 7.982 -4.249 1.00 21.42 N ATOM 1143 CA GLU A 81 1.820 9.033 -5.131 1.00 32.20 C ATOM 1144 C GLU A 81 0.758 10.103 -5.363 1.00 71.12 C ATOM 1145 O GLU A 81 0.993 11.290 -5.125 1.00 41.34 O ATOM 1146 CB GLU A 81 2.387 8.424 -6.424 1.00 31.43 C ATOM 1147 CG GLU A 81 3.663 7.634 -6.102 1.00 42.23 C ATOM 1148 CD GLU A 81 4.500 7.225 -7.322 1.00 71.42 C ATOM 1149 OE1 GLU A 81 4.884 8.119 -8.114 1.00 30.20 O ATOM 1150 OE2 GLU A 81 4.900 6.042 -7.402 1.00 13.22 O ATOM 0 H GLU A 81 1.406 7.042 -4.629 1.00 21.42 H new ATOM 0 HA GLU A 81 2.659 9.536 -4.650 1.00 32.20 H new ATOM 0 HB2 GLU A 81 1.648 7.769 -6.885 1.00 31.43 H new ATOM 0 HB3 GLU A 81 2.607 9.212 -7.144 1.00 31.43 H new ATOM 0 HG2 GLU A 81 4.286 8.234 -5.438 1.00 42.23 H new ATOM 0 HG3 GLU A 81 3.386 6.734 -5.553 1.00 42.23 H new ATOM 1155 N GLN A 82 -0.455 9.653 -5.643 1.00 41.11 N ATOM 1156 CA GLN A 82 -1.631 10.480 -5.882 1.00 12.31 C ATOM 1157 C GLN A 82 -2.109 11.279 -4.655 1.00 30.41 C ATOM 1158 O GLN A 82 -2.995 12.126 -4.761 1.00 70.45 O ATOM 1159 CB GLN A 82 -2.709 9.589 -6.517 1.00 50.34 C ATOM 1160 CG GLN A 82 -2.548 9.568 -8.039 1.00 1.11 C ATOM 1161 CD GLN A 82 -2.907 8.240 -8.701 1.00 31.40 C ATOM 1162 OE1 GLN A 82 -3.984 8.039 -9.259 1.00 70.04 O ATOM 1163 NE2 GLN A 82 -1.981 7.302 -8.685 1.00 14.10 N ATOM 0 H GLN A 82 -0.657 8.656 -5.713 1.00 41.11 H new ATOM 0 HA GLN A 82 -1.370 11.278 -6.577 1.00 12.31 H new ATOM 0 HB2 GLN A 82 -2.633 8.576 -6.122 1.00 50.34 H new ATOM 0 HB3 GLN A 82 -3.699 9.960 -6.254 1.00 50.34 H new ATOM 0 HG2 GLN A 82 -3.172 10.352 -8.467 1.00 1.11 H new ATOM 0 HG3 GLN A 82 -1.515 9.813 -8.285 1.00 1.11 H new ATOM 0 HE21 GLN A 82 -1.089 7.474 -8.221 1.00 14.10 H new ATOM 0 HE22 GLN A 82 -2.156 6.405 -9.137 1.00 14.10 H new ATOM 1170 N GLU A 83 -1.477 11.111 -3.497 1.00 21.23 N ATOM 1171 CA GLU A 83 -1.771 11.844 -2.265 1.00 63.44 C ATOM 1172 C GLU A 83 -0.653 12.803 -1.905 1.00 11.40 C ATOM 1173 O GLU A 83 -0.761 13.536 -0.921 1.00 65.31 O ATOM 1174 CB GLU A 83 -1.918 10.865 -1.095 1.00 51.23 C ATOM 1175 CG GLU A 83 -2.786 9.675 -1.461 1.00 14.42 C ATOM 1176 CD GLU A 83 -4.197 10.101 -1.910 1.00 2.42 C ATOM 1177 OE1 GLU A 83 -4.684 11.143 -1.408 1.00 72.35 O ATOM 1178 OE2 GLU A 83 -4.852 9.397 -2.711 1.00 43.41 O ATOM 0 H GLU A 83 -0.719 10.438 -3.385 1.00 21.23 H new ATOM 0 HA GLU A 83 -2.693 12.399 -2.439 1.00 63.44 H new ATOM 0 HB2 GLU A 83 -0.932 10.515 -0.788 1.00 51.23 H new ATOM 0 HB3 GLU A 83 -2.353 11.383 -0.240 1.00 51.23 H new ATOM 0 HG2 GLU A 83 -2.307 9.110 -2.261 1.00 14.42 H new ATOM 0 HG3 GLU A 83 -2.865 9.008 -0.603 1.00 14.42 H new ATOM 1183 N GLN A 84 0.461 12.717 -2.616 1.00 72.44 N ATOM 1184 CA GLN A 84 1.748 13.279 -2.233 1.00 70.45 C ATOM 1185 C GLN A 84 2.181 14.287 -3.269 1.00 21.12 C ATOM 1186 O GLN A 84 2.775 15.289 -2.922 1.00 61.21 O ATOM 1187 CB GLN A 84 2.756 12.142 -2.060 1.00 41.04 C ATOM 1188 CG GLN A 84 3.709 11.753 -3.201 1.00 72.54 C ATOM 1189 CD GLN A 84 4.341 10.374 -2.984 1.00 32.30 C ATOM 1190 OE1 GLN A 84 5.489 10.126 -3.327 1.00 44.32 O ATOM 1191 NE2 GLN A 84 3.612 9.404 -2.444 1.00 41.01 N ATOM 0 H GLN A 84 0.495 12.233 -3.513 1.00 72.44 H new ATOM 0 HA GLN A 84 1.677 13.804 -1.281 1.00 70.45 H new ATOM 0 HB2 GLN A 84 3.374 12.391 -1.198 1.00 41.04 H new ATOM 0 HB3 GLN A 84 2.189 11.249 -1.798 1.00 41.04 H new ATOM 0 HG2 GLN A 84 3.163 11.756 -4.145 1.00 72.54 H new ATOM 0 HG3 GLN A 84 4.496 12.502 -3.286 1.00 72.54 H new ATOM 0 HE21 GLN A 84 2.653 9.590 -2.151 1.00 41.01 H new ATOM 0 HE22 GLN A 84 4.011 8.473 -2.322 1.00 41.01 H new ATOM 1198 N GLN A 85 1.776 14.075 -4.515 1.00 23.32 N ATOM 1199 CA GLN A 85 1.972 15.055 -5.588 1.00 45.24 C ATOM 1200 C GLN A 85 1.463 16.457 -5.175 1.00 10.12 C ATOM 1201 O GLN A 85 1.944 17.479 -5.651 1.00 13.44 O ATOM 1202 CB GLN A 85 1.349 14.549 -6.910 1.00 32.20 C ATOM 1203 CG GLN A 85 -0.082 15.015 -7.257 1.00 54.34 C ATOM 1204 CD GLN A 85 -1.096 13.900 -7.460 1.00 72.04 C ATOM 1205 OE1 GLN A 85 -0.903 12.985 -8.250 1.00 54.44 O ATOM 1206 NE2 GLN A 85 -2.234 13.998 -6.795 1.00 2.11 N ATOM 0 H GLN A 85 1.303 13.222 -4.815 1.00 23.32 H new ATOM 0 HA GLN A 85 3.042 15.166 -5.766 1.00 45.24 H new ATOM 0 HB2 GLN A 85 2.006 14.849 -7.726 1.00 32.20 H new ATOM 0 HB3 GLN A 85 1.349 13.459 -6.885 1.00 32.20 H new ATOM 0 HG2 GLN A 85 -0.438 15.667 -6.459 1.00 54.34 H new ATOM 0 HG3 GLN A 85 -0.041 15.616 -8.165 1.00 54.34 H new ATOM 0 HE21 GLN A 85 -2.378 14.767 -6.141 1.00 2.11 H new ATOM 0 HE22 GLN A 85 -2.969 13.305 -6.936 1.00 2.11 H new ATOM 1213 N ARG A 86 0.452 16.499 -4.299 1.00 33.34 N ATOM 1214 CA ARG A 86 -0.234 17.697 -3.818 1.00 32.32 C ATOM 1215 C ARG A 86 0.409 18.395 -2.621 1.00 52.51 C ATOM 1216 O ARG A 86 -0.065 19.446 -2.182 1.00 2.41 O ATOM 1217 CB ARG A 86 -1.669 17.320 -3.460 1.00 45.41 C ATOM 1218 CG ARG A 86 -1.862 16.268 -2.359 1.00 51.11 C ATOM 1219 CD ARG A 86 -3.359 15.984 -2.122 1.00 2.43 C ATOM 1220 NE ARG A 86 -3.561 15.021 -1.020 1.00 65.21 N ATOM 1221 CZ ARG A 86 -3.448 15.289 0.289 1.00 44.31 C ATOM 1222 NH1 ARG A 86 -3.479 16.548 0.723 1.00 10.30 N ATOM 1223 NH2 ARG A 86 -3.276 14.298 1.160 1.00 44.22 N ATOM 0 H ARG A 86 0.072 15.648 -3.885 1.00 33.34 H new ATOM 0 HA ARG A 86 -0.175 18.418 -4.633 1.00 32.32 H new ATOM 0 HB2 ARG A 86 -2.191 18.227 -3.156 1.00 45.41 H new ATOM 0 HB3 ARG A 86 -2.159 16.958 -4.364 1.00 45.41 H new ATOM 0 HG2 ARG A 86 -1.353 15.346 -2.639 1.00 51.11 H new ATOM 0 HG3 ARG A 86 -1.403 16.617 -1.434 1.00 51.11 H new ATOM 0 HD2 ARG A 86 -3.875 16.916 -1.891 1.00 2.43 H new ATOM 0 HD3 ARG A 86 -3.805 15.591 -3.036 1.00 2.43 H new ATOM 0 HE ARG A 86 -3.809 14.066 -1.278 1.00 65.21 H new ATOM 0 HH11 ARG A 86 -3.589 17.314 0.058 1.00 10.30 H new ATOM 0 HH12 ARG A 86 -3.393 16.746 1.720 1.00 10.30 H new ATOM 0 HH21 ARG A 86 -3.230 13.333 0.832 1.00 44.22 H new ATOM 0 HH22 ARG A 86 -3.190 14.503 2.155 1.00 44.22 H new ATOM 1234 N ASN A 87 1.407 17.781 -2.006 1.00 62.35 N ATOM 1235 CA ASN A 87 2.077 18.277 -0.828 1.00 64.24 C ATOM 1236 C ASN A 87 3.565 17.962 -0.847 1.00 41.32 C ATOM 1237 O ASN A 87 4.074 17.037 -1.459 1.00 31.41 O ATOM 1238 CB ASN A 87 1.402 17.772 0.459 1.00 33.33 C ATOM 1239 CG ASN A 87 1.330 16.256 0.580 1.00 51.52 C ATOM 1240 OD1 ASN A 87 2.299 15.543 0.361 1.00 34.50 O ATOM 1241 ND2 ASN A 87 0.192 15.727 0.992 1.00 62.42 N ATOM 0 H ASN A 87 1.782 16.890 -2.331 1.00 62.35 H new ATOM 0 HA ASN A 87 1.984 19.363 -0.838 1.00 64.24 H new ATOM 0 HB2 ASN A 87 1.944 18.167 1.318 1.00 33.33 H new ATOM 0 HB3 ASN A 87 0.391 18.176 0.507 1.00 33.33 H new ATOM 0 HD21 ASN A 87 0.118 14.719 1.129 1.00 62.42 H new ATOM 0 HD22 ASN A 87 -0.613 16.327 1.173 1.00 62.42 H new ATOM 1247 N GLU A 88 4.285 18.773 -0.110 1.00 21.40 N ATOM 1248 CA GLU A 88 5.725 18.653 0.135 1.00 2.34 C ATOM 1249 C GLU A 88 6.037 18.203 1.564 1.00 13.10 C ATOM 1250 O GLU A 88 7.190 18.177 1.992 1.00 53.42 O ATOM 1251 CB GLU A 88 6.431 19.965 -0.232 1.00 50.32 C ATOM 1252 CG GLU A 88 6.451 20.248 -1.745 1.00 14.21 C ATOM 1253 CD GLU A 88 7.212 19.210 -2.583 1.00 10.01 C ATOM 1254 OE1 GLU A 88 7.709 18.183 -2.065 1.00 71.11 O ATOM 1255 OE2 GLU A 88 7.249 19.361 -3.823 1.00 32.10 O ATOM 0 H GLU A 88 3.874 19.578 0.364 1.00 21.40 H new ATOM 0 HA GLU A 88 6.115 17.866 -0.511 1.00 2.34 H new ATOM 0 HB2 GLU A 88 5.934 20.791 0.278 1.00 50.32 H new ATOM 0 HB3 GLU A 88 7.456 19.933 0.137 1.00 50.32 H new ATOM 0 HG2 GLU A 88 5.423 20.302 -2.104 1.00 14.21 H new ATOM 0 HG3 GLU A 88 6.899 21.228 -1.912 1.00 14.21 H new ATOM 1260 N ASN A 89 5.010 17.821 2.316 1.00 73.35 N ATOM 1261 CA ASN A 89 5.045 17.652 3.762 1.00 71.13 C ATOM 1262 C ASN A 89 4.208 16.435 4.171 1.00 65.55 C ATOM 1263 O ASN A 89 3.623 16.415 5.257 1.00 10.23 O ATOM 1264 CB ASN A 89 4.601 18.967 4.437 1.00 33.13 C ATOM 1265 CG ASN A 89 3.380 19.600 3.780 1.00 24.20 C ATOM 1266 OD1 ASN A 89 2.331 18.975 3.652 1.00 45.13 O ATOM 1267 ND2 ASN A 89 3.518 20.805 3.254 1.00 70.54 N ATOM 0 H ASN A 89 4.094 17.613 1.917 1.00 73.35 H new ATOM 0 HA ASN A 89 6.059 17.446 4.103 1.00 71.13 H new ATOM 0 HB2 ASN A 89 4.380 18.772 5.486 1.00 33.13 H new ATOM 0 HB3 ASN A 89 5.428 19.677 4.412 1.00 33.13 H new ATOM 0 HD21 ASN A 89 2.748 21.226 2.735 1.00 70.54 H new ATOM 0 HD22 ASN A 89 4.395 21.314 3.368 1.00 70.54 H new ATOM 1273 N ASN A 90 4.134 15.395 3.326 1.00 43.25 N ATOM 1274 CA ASN A 90 3.518 14.117 3.702 1.00 10.02 C ATOM 1275 C ASN A 90 4.443 12.922 3.435 1.00 44.45 C ATOM 1276 O ASN A 90 4.171 12.076 2.577 1.00 22.34 O ATOM 1277 CB ASN A 90 2.125 13.968 3.088 1.00 24.21 C ATOM 1278 CG ASN A 90 1.219 13.147 3.979 1.00 71.14 C ATOM 1279 OD1 ASN A 90 0.782 13.625 5.021 1.00 31.34 O ATOM 1280 ND2 ASN A 90 0.851 11.952 3.575 1.00 50.51 N ATOM 0 H ASN A 90 4.496 15.417 2.373 1.00 43.25 H new ATOM 0 HA ASN A 90 3.373 14.124 4.782 1.00 10.02 H new ATOM 0 HB2 ASN A 90 1.687 14.954 2.929 1.00 24.21 H new ATOM 0 HB3 ASN A 90 2.205 13.493 2.110 1.00 24.21 H new ATOM 0 HD21 ASN A 90 0.192 11.406 4.130 1.00 50.51 H new ATOM 0 HD22 ASN A 90 1.224 11.570 2.706 1.00 50.51 H new ATOM 1286 N PRO A 91 5.555 12.820 4.180 1.00 70.54 N ATOM 1287 CA PRO A 91 6.595 11.828 3.940 1.00 31.21 C ATOM 1288 C PRO A 91 6.096 10.391 4.128 1.00 22.24 C ATOM 1289 O PRO A 91 6.684 9.483 3.546 1.00 13.42 O ATOM 1290 CB PRO A 91 7.683 12.123 4.981 1.00 44.34 C ATOM 1291 CG PRO A 91 6.948 12.903 6.069 1.00 53.12 C ATOM 1292 CD PRO A 91 5.928 13.690 5.278 1.00 43.43 C ATOM 0 HA PRO A 91 6.947 11.897 2.911 1.00 31.21 H new ATOM 0 HB2 PRO A 91 8.120 11.205 5.374 1.00 44.34 H new ATOM 0 HB3 PRO A 91 8.498 12.706 4.553 1.00 44.34 H new ATOM 0 HG2 PRO A 91 6.475 12.240 6.794 1.00 53.12 H new ATOM 0 HG3 PRO A 91 7.621 13.555 6.625 1.00 53.12 H new ATOM 0 HD2 PRO A 91 5.064 13.945 5.891 1.00 43.43 H new ATOM 0 HD3 PRO A 91 6.348 14.628 4.914 1.00 43.43 H new ATOM 1297 N THR A 92 5.040 10.151 4.922 1.00 50.24 N ATOM 1298 CA THR A 92 4.543 8.797 5.158 1.00 23.50 C ATOM 1299 C THR A 92 4.205 8.132 3.824 1.00 52.31 C ATOM 1300 O THR A 92 4.685 7.028 3.561 1.00 12.20 O ATOM 1301 CB THR A 92 3.346 8.803 6.123 1.00 64.12 C ATOM 1302 OG1 THR A 92 3.684 9.466 7.319 1.00 14.30 O ATOM 1303 CG2 THR A 92 2.896 7.393 6.511 1.00 51.11 C ATOM 0 H THR A 92 4.518 10.880 5.408 1.00 50.24 H new ATOM 0 HA THR A 92 5.325 8.210 5.640 1.00 23.50 H new ATOM 0 HB THR A 92 2.539 9.310 5.594 1.00 64.12 H new ATOM 0 HG1 THR A 92 2.913 9.464 7.923 1.00 14.30 H new ATOM 0 HG21 THR A 92 2.048 7.456 7.193 1.00 51.11 H new ATOM 0 HG22 THR A 92 2.601 6.846 5.616 1.00 51.11 H new ATOM 0 HG23 THR A 92 3.718 6.871 7.001 1.00 51.11 H new ATOM 1311 N ALA A 93 3.440 8.826 2.974 1.00 31.12 N ATOM 1312 CA ALA A 93 3.133 8.416 1.610 1.00 22.23 C ATOM 1313 C ALA A 93 4.408 8.345 0.761 1.00 32.52 C ATOM 1314 O ALA A 93 4.626 7.391 0.013 1.00 73.52 O ATOM 1315 CB ALA A 93 2.162 9.445 1.029 1.00 74.41 C ATOM 0 H ALA A 93 3.007 9.714 3.229 1.00 31.12 H new ATOM 0 HA ALA A 93 2.687 7.421 1.607 1.00 22.23 H new ATOM 0 HB1 ALA A 93 1.909 9.169 0.005 1.00 74.41 H new ATOM 0 HB2 ALA A 93 1.255 9.470 1.632 1.00 74.41 H new ATOM 0 HB3 ALA A 93 2.629 10.430 1.035 1.00 74.41 H new ATOM 1321 N LYS A 94 5.253 9.366 0.889 1.00 14.31 N ATOM 1322 CA LYS A 94 6.396 9.607 0.019 1.00 25.44 C ATOM 1323 C LYS A 94 7.564 8.634 0.203 1.00 54.41 C ATOM 1324 O LYS A 94 8.502 8.652 -0.593 1.00 12.43 O ATOM 1325 CB LYS A 94 6.832 11.059 0.229 1.00 42.21 C ATOM 1326 CG LYS A 94 7.577 11.595 -0.989 1.00 3.41 C ATOM 1327 CD LYS A 94 7.460 13.109 -1.109 1.00 23.50 C ATOM 1328 CE LYS A 94 8.090 13.916 0.024 1.00 43.24 C ATOM 1329 NZ LYS A 94 7.794 15.348 -0.164 1.00 44.42 N ATOM 0 H LYS A 94 5.156 10.067 1.623 1.00 14.31 H new ATOM 0 HA LYS A 94 6.080 9.429 -1.009 1.00 25.44 H new ATOM 0 HB2 LYS A 94 5.957 11.679 0.425 1.00 42.21 H new ATOM 0 HB3 LYS A 94 7.473 11.125 1.108 1.00 42.21 H new ATOM 0 HG2 LYS A 94 8.629 11.317 -0.922 1.00 3.41 H new ATOM 0 HG3 LYS A 94 7.181 11.128 -1.891 1.00 3.41 H new ATOM 0 HD2 LYS A 94 7.920 13.417 -2.048 1.00 23.50 H new ATOM 0 HD3 LYS A 94 6.403 13.369 -1.171 1.00 23.50 H new ATOM 0 HE2 LYS A 94 7.702 13.577 0.985 1.00 43.24 H new ATOM 0 HE3 LYS A 94 9.168 13.757 0.042 1.00 43.24 H new ATOM 0 HZ1 LYS A 94 8.224 15.896 0.609 1.00 44.42 H new ATOM 0 HZ2 LYS A 94 8.185 15.667 -1.074 1.00 44.42 H new ATOM 0 HZ3 LYS A 94 6.764 15.493 -0.160 1.00 44.42 H new ATOM 1339 N TYR A 95 7.553 7.799 1.241 1.00 51.15 N ATOM 1340 CA TYR A 95 8.523 6.719 1.382 1.00 22.41 C ATOM 1341 C TYR A 95 7.919 5.391 0.926 1.00 14.30 C ATOM 1342 O TYR A 95 8.583 4.620 0.233 1.00 3.44 O ATOM 1343 CB TYR A 95 9.039 6.665 2.828 1.00 72.25 C ATOM 1344 CG TYR A 95 9.901 7.851 3.231 1.00 65.15 C ATOM 1345 CD1 TYR A 95 11.008 8.209 2.439 1.00 11.02 C ATOM 1346 CD2 TYR A 95 9.627 8.583 4.403 1.00 51.15 C ATOM 1347 CE1 TYR A 95 11.809 9.308 2.792 1.00 52.32 C ATOM 1348 CE2 TYR A 95 10.461 9.647 4.795 1.00 13.10 C ATOM 1349 CZ TYR A 95 11.561 10.012 3.989 1.00 42.42 C ATOM 1350 OH TYR A 95 12.416 11.003 4.368 1.00 1.24 O ATOM 0 H TYR A 95 6.876 7.853 2.002 1.00 51.15 H new ATOM 0 HA TYR A 95 9.379 6.912 0.736 1.00 22.41 H new ATOM 0 HB2 TYR A 95 8.186 6.605 3.504 1.00 72.25 H new ATOM 0 HB3 TYR A 95 9.616 5.750 2.961 1.00 72.25 H new ATOM 0 HD1 TYR A 95 11.243 7.635 1.555 1.00 11.02 H new ATOM 0 HD2 TYR A 95 8.769 8.325 5.006 1.00 51.15 H new ATOM 0 HE1 TYR A 95 12.617 9.615 2.145 1.00 52.32 H new ATOM 0 HE2 TYR A 95 10.260 10.183 5.711 1.00 13.10 H new ATOM 0 HH TYR A 95 12.110 11.394 5.213 1.00 1.24 H new ATOM 1359 N ARG A 96 6.667 5.096 1.295 1.00 25.32 N ATOM 1360 CA ARG A 96 6.035 3.825 0.952 1.00 42.32 C ATOM 1361 C ARG A 96 5.793 3.651 -0.545 1.00 30.11 C ATOM 1362 O ARG A 96 6.101 2.575 -1.052 1.00 42.35 O ATOM 1363 CB ARG A 96 4.774 3.598 1.773 1.00 25.34 C ATOM 1364 CG ARG A 96 3.706 4.672 1.566 1.00 63.24 C ATOM 1365 CD ARG A 96 2.596 4.557 2.596 1.00 30.30 C ATOM 1366 NE ARG A 96 3.085 4.721 3.970 1.00 4.23 N ATOM 1367 CZ ARG A 96 2.646 4.029 5.023 1.00 64.45 C ATOM 1368 NH1 ARG A 96 1.473 3.406 4.979 1.00 21.13 N ATOM 1369 NH2 ARG A 96 3.412 3.935 6.102 1.00 34.50 N ATOM 0 H ARG A 96 6.073 5.726 1.833 1.00 25.32 H new ATOM 0 HA ARG A 96 6.748 3.044 1.217 1.00 42.32 H new ATOM 0 HB2 ARG A 96 4.354 2.626 1.516 1.00 25.34 H new ATOM 0 HB3 ARG A 96 5.040 3.561 2.829 1.00 25.34 H new ATOM 0 HG2 ARG A 96 4.164 5.659 1.631 1.00 63.24 H new ATOM 0 HG3 ARG A 96 3.286 4.581 0.564 1.00 63.24 H new ATOM 0 HD2 ARG A 96 1.836 5.311 2.392 1.00 30.30 H new ATOM 0 HD3 ARG A 96 2.114 3.584 2.499 1.00 30.30 H new ATOM 0 HE ARG A 96 3.814 5.415 4.132 1.00 4.23 H new ATOM 0 HH11 ARG A 96 0.901 3.455 4.136 1.00 21.13 H new ATOM 0 HH12 ARG A 96 1.145 2.879 5.788 1.00 21.13 H new ATOM 0 HH21 ARG A 96 4.325 4.389 6.120 1.00 34.50 H new ATOM 0 HH22 ARG A 96 3.088 3.409 6.913 1.00 34.50 H new ATOM 1380 N ALA A 97 5.316 4.685 -1.250 1.00 34.41 N ATOM 1381 CA ALA A 97 5.075 4.613 -2.682 1.00 44.14 C ATOM 1382 C ALA A 97 6.380 4.192 -3.374 1.00 5.31 C ATOM 1383 O ALA A 97 6.458 3.168 -4.054 1.00 33.23 O ATOM 1384 CB ALA A 97 4.643 5.992 -3.178 1.00 45.32 C ATOM 0 H ALA A 97 5.089 5.590 -0.837 1.00 34.41 H new ATOM 0 HA ALA A 97 4.292 3.888 -2.906 1.00 44.14 H new ATOM 0 HB1 ALA A 97 4.459 5.951 -4.252 1.00 45.32 H new ATOM 0 HB2 ALA A 97 3.730 6.294 -2.665 1.00 45.32 H new ATOM 0 HB3 ALA A 97 5.431 6.716 -2.972 1.00 45.32 H new ATOM 1390 N ARG A 98 7.439 4.970 -3.118 1.00 70.23 N ATOM 1391 CA ARG A 98 8.801 4.745 -3.581 1.00 21.14 C ATOM 1392 C ARG A 98 9.305 3.328 -3.288 1.00 62.34 C ATOM 1393 O ARG A 98 9.964 2.730 -4.144 1.00 53.43 O ATOM 1394 CB ARG A 98 9.714 5.825 -2.956 1.00 73.44 C ATOM 1395 CG ARG A 98 10.342 6.751 -4.003 1.00 11.21 C ATOM 1396 CD ARG A 98 11.029 7.947 -3.338 1.00 24.32 C ATOM 1397 NE ARG A 98 11.732 8.774 -4.334 1.00 33.13 N ATOM 1398 CZ ARG A 98 12.484 9.848 -4.059 1.00 52.21 C ATOM 1399 NH1 ARG A 98 12.622 10.296 -2.817 1.00 13.41 N ATOM 1400 NH2 ARG A 98 13.134 10.491 -5.018 1.00 11.01 N ATOM 0 H ARG A 98 7.358 5.815 -2.553 1.00 70.23 H new ATOM 0 HA ARG A 98 8.820 4.830 -4.667 1.00 21.14 H new ATOM 0 HB2 ARG A 98 9.134 6.421 -2.252 1.00 73.44 H new ATOM 0 HB3 ARG A 98 10.506 5.339 -2.386 1.00 73.44 H new ATOM 0 HG2 ARG A 98 11.067 6.195 -4.597 1.00 11.21 H new ATOM 0 HG3 ARG A 98 9.572 7.105 -4.689 1.00 11.21 H new ATOM 0 HD2 ARG A 98 10.288 8.552 -2.816 1.00 24.32 H new ATOM 0 HD3 ARG A 98 11.737 7.593 -2.589 1.00 24.32 H new ATOM 0 HE ARG A 98 11.638 8.507 -5.314 1.00 33.13 H new ATOM 0 HH11 ARG A 98 12.150 9.820 -2.048 1.00 13.41 H new ATOM 0 HH12 ARG A 98 13.200 11.116 -2.632 1.00 13.41 H new ATOM 0 HH21 ARG A 98 13.066 10.170 -5.984 1.00 11.01 H new ATOM 0 HH22 ARG A 98 13.702 11.307 -4.790 1.00 11.01 H new ATOM 1411 N LEU A 99 9.039 2.801 -2.088 1.00 33.21 N ATOM 1412 CA LEU A 99 9.391 1.441 -1.676 1.00 64.55 C ATOM 1413 C LEU A 99 8.725 0.420 -2.594 1.00 2.34 C ATOM 1414 O LEU A 99 9.428 -0.384 -3.202 1.00 13.22 O ATOM 1415 CB LEU A 99 9.064 1.236 -0.184 1.00 4.10 C ATOM 1416 CG LEU A 99 9.029 -0.219 0.326 1.00 3.00 C ATOM 1417 CD1 LEU A 99 10.318 -1.000 0.090 1.00 74.55 C ATOM 1418 CD2 LEU A 99 8.779 -0.172 1.838 1.00 61.34 C ATOM 0 H LEU A 99 8.559 3.325 -1.357 1.00 33.21 H new ATOM 0 HA LEU A 99 10.465 1.288 -1.779 1.00 64.55 H new ATOM 0 HB2 LEU A 99 9.800 1.784 0.404 1.00 4.10 H new ATOM 0 HB3 LEU A 99 8.094 1.690 0.017 1.00 4.10 H new ATOM 0 HG LEU A 99 8.245 -0.733 -0.231 1.00 3.00 H new ATOM 0 HD11 LEU A 99 10.207 -2.012 0.479 1.00 74.55 H new ATOM 0 HD12 LEU A 99 10.527 -1.043 -0.979 1.00 74.55 H new ATOM 0 HD13 LEU A 99 11.143 -0.504 0.601 1.00 74.55 H new ATOM 0 HD21 LEU A 99 8.748 -1.187 2.233 1.00 61.34 H new ATOM 0 HD22 LEU A 99 9.583 0.382 2.323 1.00 61.34 H new ATOM 0 HD23 LEU A 99 7.828 0.323 2.034 1.00 61.34 H new ATOM 1429 N MET A 100 7.399 0.475 -2.719 1.00 51.22 N ATOM 1430 CA MET A 100 6.650 -0.405 -3.609 1.00 20.43 C ATOM 1431 C MET A 100 7.217 -0.335 -5.032 1.00 14.20 C ATOM 1432 O MET A 100 7.501 -1.377 -5.615 1.00 40.02 O ATOM 1433 CB MET A 100 5.149 -0.074 -3.551 1.00 14.02 C ATOM 1434 CG MET A 100 4.506 -0.282 -2.176 1.00 23.13 C ATOM 1435 SD MET A 100 4.845 -1.889 -1.420 1.00 41.05 S ATOM 1436 CE MET A 100 3.208 -2.645 -1.529 1.00 41.44 C ATOM 0 H MET A 100 6.815 1.133 -2.204 1.00 51.22 H new ATOM 0 HA MET A 100 6.760 -1.437 -3.275 1.00 20.43 H new ATOM 0 HB2 MET A 100 5.007 0.964 -3.851 1.00 14.02 H new ATOM 0 HB3 MET A 100 4.625 -0.692 -4.280 1.00 14.02 H new ATOM 0 HG2 MET A 100 4.856 0.502 -1.504 1.00 23.13 H new ATOM 0 HG3 MET A 100 3.427 -0.161 -2.272 1.00 23.13 H new ATOM 0 HE1 MET A 100 3.241 -3.648 -1.103 1.00 41.44 H new ATOM 0 HE2 MET A 100 2.490 -2.040 -0.976 1.00 41.44 H new ATOM 0 HE3 MET A 100 2.903 -2.704 -2.574 1.00 41.44 H new ATOM 1444 N LYS A 101 7.500 0.866 -5.554 1.00 14.44 N ATOM 1445 CA LYS A 101 8.137 1.022 -6.862 1.00 41.23 C ATOM 1446 C LYS A 101 9.405 0.177 -7.011 1.00 24.12 C ATOM 1447 O LYS A 101 9.529 -0.584 -7.963 1.00 20.20 O ATOM 1448 CB LYS A 101 8.407 2.477 -7.180 1.00 35.40 C ATOM 1449 CG LYS A 101 8.778 2.536 -8.669 1.00 55.35 C ATOM 1450 CD LYS A 101 8.556 3.941 -9.185 1.00 31.52 C ATOM 1451 CE LYS A 101 9.328 4.216 -10.466 1.00 32.50 C ATOM 1452 NZ LYS A 101 8.991 3.276 -11.558 1.00 55.04 N ATOM 0 H LYS A 101 7.295 1.748 -5.084 1.00 14.44 H new ATOM 0 HA LYS A 101 7.424 0.644 -7.594 1.00 41.23 H new ATOM 0 HB2 LYS A 101 7.528 3.089 -6.975 1.00 35.40 H new ATOM 0 HB3 LYS A 101 9.217 2.865 -6.563 1.00 35.40 H new ATOM 0 HG2 LYS A 101 9.819 2.246 -8.808 1.00 55.35 H new ATOM 0 HG3 LYS A 101 8.172 1.829 -9.235 1.00 55.35 H new ATOM 0 HD2 LYS A 101 7.492 4.095 -9.365 1.00 31.52 H new ATOM 0 HD3 LYS A 101 8.858 4.658 -8.421 1.00 31.52 H new ATOM 0 HE2 LYS A 101 9.124 5.235 -10.795 1.00 32.50 H new ATOM 0 HE3 LYS A 101 10.397 4.156 -10.260 1.00 32.50 H new ATOM 0 HZ1 LYS A 101 9.470 3.573 -12.432 1.00 55.04 H new ATOM 0 HZ2 LYS A 101 9.304 2.318 -11.301 1.00 55.04 H new ATOM 0 HZ3 LYS A 101 7.962 3.275 -11.710 1.00 55.04 H new ATOM 1462 N LYS A 102 10.374 0.310 -6.098 1.00 72.15 N ATOM 1463 CA LYS A 102 11.607 -0.467 -6.172 1.00 12.40 C ATOM 1464 C LYS A 102 11.352 -1.973 -6.193 1.00 53.41 C ATOM 1465 O LYS A 102 12.079 -2.681 -6.878 1.00 41.05 O ATOM 1466 CB LYS A 102 12.546 -0.099 -5.028 1.00 22.52 C ATOM 1467 CG LYS A 102 13.356 1.151 -5.378 1.00 21.51 C ATOM 1468 CD LYS A 102 14.651 1.257 -4.564 1.00 61.53 C ATOM 1469 CE LYS A 102 15.905 0.741 -5.290 1.00 42.11 C ATOM 1470 NZ LYS A 102 16.183 1.465 -6.550 1.00 61.23 N ATOM 0 H LYS A 102 10.324 0.947 -5.303 1.00 72.15 H new ATOM 0 HA LYS A 102 12.083 -0.212 -7.119 1.00 12.40 H new ATOM 0 HB2 LYS A 102 11.970 0.077 -4.120 1.00 22.52 H new ATOM 0 HB3 LYS A 102 13.220 -0.930 -4.822 1.00 22.52 H new ATOM 0 HG2 LYS A 102 13.598 1.137 -6.441 1.00 21.51 H new ATOM 0 HG3 LYS A 102 12.746 2.037 -5.202 1.00 21.51 H new ATOM 0 HD2 LYS A 102 14.809 2.300 -4.290 1.00 61.53 H new ATOM 0 HD3 LYS A 102 14.528 0.699 -3.636 1.00 61.53 H new ATOM 0 HE2 LYS A 102 16.765 0.833 -4.627 1.00 42.11 H new ATOM 0 HE3 LYS A 102 15.782 -0.320 -5.507 1.00 42.11 H new ATOM 0 HZ1 LYS A 102 17.179 1.328 -6.817 1.00 61.23 H new ATOM 0 HZ2 LYS A 102 15.569 1.097 -7.305 1.00 61.23 H new ATOM 0 HZ3 LYS A 102 15.997 2.479 -6.416 1.00 61.23 H new ATOM 1480 N ILE A 103 10.355 -2.472 -5.464 1.00 54.34 N ATOM 1481 CA ILE A 103 10.017 -3.891 -5.470 1.00 14.41 C ATOM 1482 C ILE A 103 9.573 -4.285 -6.891 1.00 21.52 C ATOM 1483 O ILE A 103 10.051 -5.292 -7.409 1.00 52.34 O ATOM 1484 CB ILE A 103 8.973 -4.163 -4.362 1.00 35.54 C ATOM 1485 CG1 ILE A 103 9.586 -3.907 -2.967 1.00 33.30 C ATOM 1486 CG2 ILE A 103 8.443 -5.603 -4.419 1.00 44.03 C ATOM 1487 CD1 ILE A 103 8.541 -3.701 -1.868 1.00 62.54 C ATOM 0 H ILE A 103 9.763 -1.906 -4.856 1.00 54.34 H new ATOM 0 HA ILE A 103 10.873 -4.524 -5.234 1.00 14.41 H new ATOM 0 HB ILE A 103 8.141 -3.480 -4.533 1.00 35.54 H new ATOM 0 HG12 ILE A 103 10.222 -4.750 -2.698 1.00 33.30 H new ATOM 0 HG13 ILE A 103 10.227 -3.027 -3.017 1.00 33.30 H new ATOM 0 HG21 ILE A 103 7.712 -5.753 -3.624 1.00 44.03 H new ATOM 0 HG22 ILE A 103 7.970 -5.779 -5.385 1.00 44.03 H new ATOM 0 HG23 ILE A 103 9.270 -6.301 -4.288 1.00 44.03 H new ATOM 0 HD11 ILE A 103 9.043 -3.527 -0.916 1.00 62.54 H new ATOM 0 HD12 ILE A 103 7.920 -2.840 -2.114 1.00 62.54 H new ATOM 0 HD13 ILE A 103 7.915 -4.590 -1.790 1.00 62.54 H new ATOM 1498 N ALA A 104 8.704 -3.505 -7.541 1.00 14.42 N ATOM 1499 CA ALA A 104 8.261 -3.755 -8.915 1.00 33.42 C ATOM 1500 C ALA A 104 9.412 -3.674 -9.927 1.00 62.21 C ATOM 1501 O ALA A 104 9.410 -4.349 -10.962 1.00 24.11 O ATOM 1502 CB ALA A 104 7.209 -2.706 -9.279 1.00 64.35 C ATOM 0 H ALA A 104 8.284 -2.674 -7.124 1.00 14.42 H new ATOM 0 HA ALA A 104 7.856 -4.766 -8.960 1.00 33.42 H new ATOM 0 HB1 ALA A 104 6.865 -2.874 -10.300 1.00 64.35 H new ATOM 0 HB2 ALA A 104 6.365 -2.785 -8.594 1.00 64.35 H new ATOM 0 HB3 ALA A 104 7.646 -1.710 -9.203 1.00 64.35 H new ATOM 1508 N ASP A 105 10.415 -2.852 -9.629 1.00 54.04 N ATOM 1509 CA ASP A 105 11.554 -2.592 -10.504 1.00 60.22 C ATOM 1510 C ASP A 105 12.395 -3.854 -10.672 1.00 63.51 C ATOM 1511 O ASP A 105 12.919 -4.135 -11.749 1.00 74.43 O ATOM 1512 CB ASP A 105 12.414 -1.458 -9.939 1.00 0.12 C ATOM 1513 CG ASP A 105 13.275 -0.791 -11.015 1.00 14.12 C ATOM 1514 OD1 ASP A 105 12.696 -0.226 -11.977 1.00 22.31 O ATOM 1515 OD2 ASP A 105 14.506 -0.678 -10.831 1.00 13.03 O ATOM 0 H ASP A 105 10.459 -2.336 -8.750 1.00 54.04 H new ATOM 0 HA ASP A 105 11.176 -2.291 -11.481 1.00 60.22 H new ATOM 0 HB2 ASP A 105 11.768 -0.710 -9.478 1.00 0.12 H new ATOM 0 HB3 ASP A 105 13.059 -1.851 -9.153 1.00 0.12 H new ATOM 1519 N LEU A 106 12.420 -4.675 -9.625 1.00 75.54 N ATOM 1520 CA LEU A 106 13.208 -5.887 -9.499 1.00 1.21 C ATOM 1521 C LEU A 106 12.424 -7.153 -9.857 1.00 44.15 C ATOM 1522 O LEU A 106 12.942 -8.247 -9.634 1.00 1.42 O ATOM 1523 CB LEU A 106 13.692 -5.974 -8.042 1.00 23.11 C ATOM 1524 CG LEU A 106 14.611 -4.843 -7.549 1.00 64.14 C ATOM 1525 CD1 LEU A 106 14.583 -4.711 -6.020 1.00 52.45 C ATOM 1526 CD2 LEU A 106 16.048 -5.120 -7.979 1.00 44.43 C ATOM 0 H LEU A 106 11.855 -4.496 -8.795 1.00 75.54 H new ATOM 0 HA LEU A 106 14.039 -5.833 -10.203 1.00 1.21 H new ATOM 0 HB2 LEU A 106 12.816 -6.007 -7.394 1.00 23.11 H new ATOM 0 HB3 LEU A 106 14.219 -6.920 -7.915 1.00 23.11 H new ATOM 0 HG LEU A 106 14.246 -3.915 -7.989 1.00 64.14 H new ATOM 0 HD11 LEU A 106 15.245 -3.901 -5.713 1.00 52.45 H new ATOM 0 HD12 LEU A 106 13.567 -4.493 -5.692 1.00 52.45 H new ATOM 0 HD13 LEU A 106 14.918 -5.645 -5.568 1.00 52.45 H new ATOM 0 HD21 LEU A 106 16.694 -4.316 -7.627 1.00 44.43 H new ATOM 0 HD22 LEU A 106 16.380 -6.066 -7.551 1.00 44.43 H new ATOM 0 HD23 LEU A 106 16.098 -5.176 -9.066 1.00 44.43 H new ATOM 1537 N TRP A 107 11.176 -7.028 -10.318 1.00 24.53 N ATOM 1538 CA TRP A 107 10.215 -8.115 -10.207 1.00 11.23 C ATOM 1539 C TRP A 107 10.620 -9.372 -10.965 1.00 63.34 C ATOM 1540 O TRP A 107 10.490 -10.456 -10.358 1.00 21.42 O ATOM 1541 CB TRP A 107 8.805 -7.655 -10.595 1.00 3.30 C ATOM 1542 CG TRP A 107 7.712 -8.544 -10.091 1.00 71.11 C ATOM 1543 CD1 TRP A 107 6.993 -9.431 -10.817 1.00 43.43 C ATOM 1544 CD2 TRP A 107 7.189 -8.622 -8.734 1.00 53.42 C ATOM 1545 NE1 TRP A 107 6.079 -10.068 -10.000 1.00 52.23 N ATOM 1546 CE2 TRP A 107 6.136 -9.582 -8.713 1.00 54.11 C ATOM 1547 CE3 TRP A 107 7.501 -7.974 -7.520 1.00 1.03 C ATOM 1548 CZ2 TRP A 107 5.401 -9.859 -7.556 1.00 32.22 C ATOM 1549 CZ3 TRP A 107 6.807 -8.298 -6.336 1.00 55.23 C ATOM 1550 CH2 TRP A 107 5.739 -9.211 -6.358 1.00 12.22 C ATOM 0 H TRP A 107 10.814 -6.187 -10.768 1.00 24.53 H new ATOM 0 HA TRP A 107 10.207 -8.397 -9.154 1.00 11.23 H new ATOM 0 HB2 TRP A 107 8.645 -6.647 -10.212 1.00 3.30 H new ATOM 0 HB3 TRP A 107 8.740 -7.597 -11.681 1.00 3.30 H new ATOM 0 HD1 TRP A 107 7.115 -9.613 -11.874 1.00 43.43 H new ATOM 0 HE1 TRP A 107 5.444 -10.803 -10.310 1.00 52.23 H new ATOM 0 HE3 TRP A 107 8.278 -7.224 -7.497 1.00 1.03 H new ATOM 0 HZ2 TRP A 107 4.583 -10.563 -7.584 1.00 32.22 H new ATOM 0 HZ3 TRP A 107 7.099 -7.840 -5.403 1.00 55.23 H new ATOM 0 HH2 TRP A 107 5.180 -9.413 -5.456 1.00 12.22 H new TER 1560 TRP A 107