USER MOD reduce.3.24.130724 H: found=0, std=0, add=828, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 828 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 89 HIS : no HD1:sc= 0.577 K(o=1.6,f=-4.6!) USER MOD Set 1.2: A 106 SER OG : rot 62:sc= 2.26 USER MOD Set 1.3: A 108 ASN : amide:sc= -2.46! C(o=1.6!,f=-6.6!) USER MOD Set 1.4: A 110 THR OG1 : rot 99:sc= 1.23 USER MOD Single : A 5 ASN : amide:sc= -0.0338 K(o=-0.034,f=-2!) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -139:sc= 1.24 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 179:sc= 0.372 USER MOD Single : A 52 LYS NZ :NH3+ 169:sc= 0.924 (180deg=0.917) USER MOD Single : A 56 ASN : amide:sc= -5.61! C(o=-5.6!,f=-6.3!) USER MOD Single : A 65 GLN : amide:sc= 1.95 K(o=1.9,f=-12!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot -160:sc= -0.854 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HE2:sc= -2.38! C(o=-2.4!,f=-3.6!) USER MOD Single : A 76 SER OG : rot 140:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.0648 USER MOD Single : A 86 SER OG : rot -126:sc= 0.304 USER MOD Single : A 95 ASN : amide:sc= -0.846 K(o=-0.85,f=-7.5!) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 118 ASN : amide:sc= -0.528 K(o=-0.53,f=0) USER MOD Single : A 120 GLN : amide:sc= -0.57 K(o=-0.57,f=-2.7!) USER MOD Single : A 122 MET CE :methyl 163:sc= 0 (180deg=-0.202) USER MOD Single : A 123 GLN : amide:sc=-0.00474 K(o=-0.0047,f=-0.82) USER MOD Single : A 124 THR OG1 : rot 180:sc= 0.562 USER MOD Single : A 129 GLN : amide:sc= 0.241 K(o=0.24,f=-0.62) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 57 N ASN A 5 3.383 -19.426 -11.627 1.00 2.11 N ATOM 58 CA ASN A 5 2.564 -20.623 -11.511 1.00 71.30 C ATOM 59 C ASN A 5 1.139 -20.260 -11.049 1.00 42.22 C ATOM 60 O ASN A 5 0.893 -19.127 -10.629 1.00 42.51 O ATOM 61 CB ASN A 5 3.271 -21.570 -10.508 1.00 3.43 C ATOM 62 CG ASN A 5 2.598 -22.911 -10.286 1.00 53.40 C ATOM 63 OD1 ASN A 5 1.990 -23.480 -11.189 1.00 1.23 O ATOM 64 ND2 ASN A 5 2.680 -23.407 -9.082 1.00 10.13 N ATOM 0 HA ASN A 5 2.459 -21.120 -12.475 1.00 71.30 H new ATOM 0 HB2 ASN A 5 4.288 -21.748 -10.859 1.00 3.43 H new ATOM 0 HB3 ASN A 5 3.350 -21.060 -9.548 1.00 3.43 H new ATOM 0 HD21 ASN A 5 2.230 -24.296 -8.865 1.00 10.13 H new ATOM 0 HD22 ASN A 5 3.194 -22.905 -8.358 1.00 10.13 H new ATOM 71 N GLY A 6 0.214 -21.210 -11.150 1.00 73.10 N ATOM 72 CA GLY A 6 -1.168 -20.987 -10.765 1.00 12.05 C ATOM 73 C GLY A 6 -1.306 -20.561 -9.314 1.00 53.21 C ATOM 74 O GLY A 6 -0.493 -20.951 -8.464 1.00 15.24 O ATOM 0 H GLY A 6 0.404 -22.149 -11.499 1.00 73.10 H new ATOM 0 HA2 GLY A 6 -1.602 -20.221 -11.408 1.00 12.05 H new ATOM 0 HA3 GLY A 6 -1.739 -21.901 -10.928 1.00 12.05 H new ATOM 78 N THR A 7 -2.318 -19.776 -9.036 1.00 12.33 N ATOM 79 CA THR A 7 -2.550 -19.239 -7.718 1.00 25.54 C ATOM 80 C THR A 7 -2.930 -20.353 -6.724 1.00 63.15 C ATOM 81 O THR A 7 -3.832 -21.154 -6.989 1.00 52.33 O ATOM 82 CB THR A 7 -3.660 -18.154 -7.766 1.00 15.34 C ATOM 83 OG1 THR A 7 -3.285 -17.133 -8.717 1.00 31.22 O ATOM 84 CG2 THR A 7 -3.877 -17.509 -6.396 1.00 2.50 C ATOM 0 H THR A 7 -3.012 -19.489 -9.727 1.00 12.33 H new ATOM 0 HA THR A 7 -1.624 -18.780 -7.371 1.00 25.54 H new ATOM 0 HB THR A 7 -4.591 -18.635 -8.066 1.00 15.34 H new ATOM 0 HG1 THR A 7 -3.983 -16.446 -8.752 1.00 31.22 H new ATOM 0 HG21 THR A 7 -4.661 -16.755 -6.469 1.00 2.50 H new ATOM 0 HG22 THR A 7 -4.174 -18.273 -5.677 1.00 2.50 H new ATOM 0 HG23 THR A 7 -2.951 -17.039 -6.064 1.00 2.50 H new ATOM 92 N PRO A 8 -2.191 -20.458 -5.621 1.00 23.25 N ATOM 93 CA PRO A 8 -2.474 -21.405 -4.551 1.00 11.32 C ATOM 94 C PRO A 8 -3.758 -21.052 -3.830 1.00 11.21 C ATOM 95 O PRO A 8 -4.166 -19.880 -3.837 1.00 14.14 O ATOM 96 CB PRO A 8 -1.289 -21.253 -3.599 1.00 30.21 C ATOM 97 CG PRO A 8 -0.803 -19.878 -3.836 1.00 72.20 C ATOM 98 CD PRO A 8 -1.020 -19.618 -5.294 1.00 41.20 C ATOM 0 HA PRO A 8 -2.600 -22.420 -4.928 1.00 11.32 H new ATOM 0 HB2 PRO A 8 -1.592 -21.394 -2.561 1.00 30.21 H new ATOM 0 HB3 PRO A 8 -0.514 -21.990 -3.808 1.00 30.21 H new ATOM 0 HG2 PRO A 8 -1.348 -19.159 -3.225 1.00 72.20 H new ATOM 0 HG3 PRO A 8 0.251 -19.785 -3.574 1.00 72.20 H new ATOM 0 HD2 PRO A 8 -1.215 -18.564 -5.489 1.00 41.20 H new ATOM 0 HD3 PRO A 8 -0.148 -19.896 -5.886 1.00 41.20 H new ATOM 106 N GLU A 9 -4.431 -22.036 -3.274 1.00 21.24 N ATOM 107 CA GLU A 9 -5.550 -21.747 -2.405 1.00 30.32 C ATOM 108 C GLU A 9 -4.945 -21.142 -1.146 1.00 53.34 C ATOM 109 O GLU A 9 -4.209 -21.832 -0.430 1.00 60.14 O ATOM 110 CB GLU A 9 -6.344 -23.018 -2.075 1.00 63.23 C ATOM 111 CG GLU A 9 -7.044 -23.646 -3.273 1.00 25.24 C ATOM 112 CD GLU A 9 -8.074 -22.724 -3.900 1.00 23.21 C ATOM 113 OE1 GLU A 9 -9.253 -22.719 -3.452 1.00 11.21 O ATOM 114 OE2 GLU A 9 -7.733 -21.995 -4.859 1.00 4.23 O ATOM 0 H GLU A 9 -4.228 -23.027 -3.405 1.00 21.24 H new ATOM 0 HA GLU A 9 -6.256 -21.066 -2.881 1.00 30.32 H new ATOM 0 HB2 GLU A 9 -5.667 -23.752 -1.638 1.00 63.23 H new ATOM 0 HB3 GLU A 9 -7.090 -22.780 -1.316 1.00 63.23 H new ATOM 0 HG2 GLU A 9 -6.300 -23.916 -4.023 1.00 25.24 H new ATOM 0 HG3 GLU A 9 -7.532 -24.569 -2.961 1.00 25.24 H new ATOM 121 N PRO A 10 -5.192 -19.833 -0.903 1.00 41.42 N ATOM 122 CA PRO A 10 -4.516 -19.074 0.142 1.00 64.55 C ATOM 123 C PRO A 10 -4.593 -19.695 1.517 1.00 41.55 C ATOM 124 O PRO A 10 -5.661 -19.757 2.150 1.00 74.21 O ATOM 125 CB PRO A 10 -5.167 -17.698 0.125 1.00 25.54 C ATOM 126 CG PRO A 10 -6.380 -17.820 -0.732 1.00 4.33 C ATOM 127 CD PRO A 10 -6.172 -19.001 -1.630 1.00 71.11 C ATOM 0 HA PRO A 10 -3.446 -19.042 -0.065 1.00 64.55 H new ATOM 0 HB2 PRO A 10 -5.434 -17.381 1.133 1.00 25.54 H new ATOM 0 HB3 PRO A 10 -4.483 -16.949 -0.274 1.00 25.54 H new ATOM 0 HG2 PRO A 10 -7.272 -17.955 -0.120 1.00 4.33 H new ATOM 0 HG3 PRO A 10 -6.530 -16.913 -1.318 1.00 4.33 H new ATOM 0 HD2 PRO A 10 -7.103 -19.540 -1.803 1.00 71.11 H new ATOM 0 HD3 PRO A 10 -5.793 -18.699 -2.606 1.00 71.11 H new ATOM 135 N GLN A 11 -3.467 -20.172 1.959 1.00 22.01 N ATOM 136 CA GLN A 11 -3.339 -20.778 3.245 1.00 62.51 C ATOM 137 C GLN A 11 -2.975 -19.704 4.253 1.00 44.35 C ATOM 138 O GLN A 11 -1.867 -19.154 4.220 1.00 44.21 O ATOM 139 CB GLN A 11 -2.275 -21.882 3.201 1.00 22.54 C ATOM 140 CG GLN A 11 -2.057 -22.610 4.519 1.00 33.21 C ATOM 141 CD GLN A 11 -1.043 -23.727 4.396 1.00 22.31 C ATOM 142 OE1 GLN A 11 -1.394 -24.870 4.104 1.00 32.41 O ATOM 143 NE2 GLN A 11 0.204 -23.414 4.595 1.00 44.11 N ATOM 0 H GLN A 11 -2.599 -20.149 1.424 1.00 22.01 H new ATOM 0 HA GLN A 11 -4.281 -21.239 3.541 1.00 62.51 H new ATOM 0 HB2 GLN A 11 -2.559 -22.611 2.442 1.00 22.54 H new ATOM 0 HB3 GLN A 11 -1.329 -21.443 2.884 1.00 22.54 H new ATOM 0 HG2 GLN A 11 -1.721 -21.899 5.273 1.00 33.21 H new ATOM 0 HG3 GLN A 11 -3.005 -23.020 4.867 1.00 33.21 H new ATOM 0 HE21 GLN A 11 0.457 -22.456 4.836 1.00 44.11 H new ATOM 0 HE22 GLN A 11 0.929 -24.127 4.510 1.00 44.11 H new ATOM 152 N VAL A 12 -3.914 -19.360 5.090 1.00 1.15 N ATOM 153 CA VAL A 12 -3.694 -18.360 6.086 1.00 35.10 C ATOM 154 C VAL A 12 -3.167 -19.032 7.333 1.00 54.44 C ATOM 155 O VAL A 12 -3.929 -19.569 8.145 1.00 71.14 O ATOM 156 CB VAL A 12 -4.984 -17.546 6.409 1.00 75.40 C ATOM 157 CG1 VAL A 12 -4.694 -16.434 7.419 1.00 30.50 C ATOM 158 CG2 VAL A 12 -5.585 -16.961 5.134 1.00 51.30 C ATOM 0 H VAL A 12 -4.850 -19.766 5.098 1.00 1.15 H new ATOM 0 HA VAL A 12 -2.967 -17.645 5.701 1.00 35.10 H new ATOM 0 HB VAL A 12 -5.708 -18.229 6.853 1.00 75.40 H new ATOM 0 HG11 VAL A 12 -5.611 -15.882 7.626 1.00 30.50 H new ATOM 0 HG12 VAL A 12 -4.317 -16.871 8.344 1.00 30.50 H new ATOM 0 HG13 VAL A 12 -3.947 -15.755 7.008 1.00 30.50 H new ATOM 0 HG21 VAL A 12 -6.484 -16.397 5.381 1.00 51.30 H new ATOM 0 HG22 VAL A 12 -4.860 -16.299 4.660 1.00 51.30 H new ATOM 0 HG23 VAL A 12 -5.841 -17.769 4.448 1.00 51.30 H new ATOM 168 N GLU A 13 -1.862 -19.058 7.435 1.00 73.33 N ATOM 169 CA GLU A 13 -1.187 -19.662 8.546 1.00 64.41 C ATOM 170 C GLU A 13 -1.409 -18.817 9.797 1.00 41.14 C ATOM 171 O GLU A 13 -1.355 -17.578 9.743 1.00 73.31 O ATOM 172 CB GLU A 13 0.305 -19.869 8.201 1.00 22.44 C ATOM 173 CG GLU A 13 1.047 -18.608 7.750 1.00 14.42 C ATOM 174 CD GLU A 13 2.423 -18.909 7.193 1.00 34.00 C ATOM 175 OE1 GLU A 13 3.353 -19.189 7.976 1.00 32.32 O ATOM 176 OE2 GLU A 13 2.598 -18.877 5.950 1.00 53.12 O ATOM 0 H GLU A 13 -1.235 -18.655 6.739 1.00 73.33 H new ATOM 0 HA GLU A 13 -1.597 -20.650 8.756 1.00 64.41 H new ATOM 0 HB2 GLU A 13 0.811 -20.277 9.076 1.00 22.44 H new ATOM 0 HB3 GLU A 13 0.379 -20.618 7.412 1.00 22.44 H new ATOM 0 HG2 GLU A 13 0.456 -18.095 6.991 1.00 14.42 H new ATOM 0 HG3 GLU A 13 1.142 -17.926 8.595 1.00 14.42 H new ATOM 183 N THR A 14 -1.730 -19.476 10.883 1.00 35.34 N ATOM 184 CA THR A 14 -2.051 -18.816 12.116 1.00 62.14 C ATOM 185 C THR A 14 -0.842 -18.073 12.704 1.00 33.25 C ATOM 186 O THR A 14 0.160 -18.681 13.103 1.00 72.22 O ATOM 187 CB THR A 14 -2.646 -19.822 13.109 1.00 11.33 C ATOM 188 OG1 THR A 14 -3.729 -20.502 12.453 1.00 73.14 O ATOM 189 CG2 THR A 14 -3.190 -19.111 14.334 1.00 44.14 C ATOM 0 H THR A 14 -1.775 -20.494 10.932 1.00 35.34 H new ATOM 0 HA THR A 14 -2.802 -18.054 11.910 1.00 62.14 H new ATOM 0 HB THR A 14 -1.871 -20.519 13.426 1.00 11.33 H new ATOM 0 HG1 THR A 14 -4.126 -21.154 13.068 1.00 73.14 H new ATOM 0 HG21 THR A 14 -3.607 -19.844 15.025 1.00 44.14 H new ATOM 0 HG22 THR A 14 -2.384 -18.566 14.826 1.00 44.14 H new ATOM 0 HG23 THR A 14 -3.970 -18.412 14.032 1.00 44.14 H new ATOM 197 N THR A 15 -0.970 -16.760 12.693 1.00 54.21 N ATOM 198 CA THR A 15 -0.018 -15.803 13.135 1.00 43.34 C ATOM 199 C THR A 15 0.660 -16.146 14.457 1.00 13.22 C ATOM 200 O THR A 15 0.023 -16.406 15.480 1.00 22.30 O ATOM 201 CB THR A 15 -0.719 -14.448 13.222 1.00 40.25 C ATOM 202 OG1 THR A 15 -1.257 -14.121 11.917 1.00 55.35 O ATOM 203 CG2 THR A 15 0.236 -13.371 13.688 1.00 35.34 C ATOM 0 H THR A 15 -1.819 -16.316 12.343 1.00 54.21 H new ATOM 0 HA THR A 15 0.794 -15.789 12.408 1.00 43.34 H new ATOM 0 HB THR A 15 -1.527 -14.505 13.952 1.00 40.25 H new ATOM 0 HG1 THR A 15 -1.107 -13.171 11.730 1.00 55.35 H new ATOM 0 HG21 THR A 15 -0.289 -12.417 13.741 1.00 35.34 H new ATOM 0 HG22 THR A 15 0.621 -13.628 14.675 1.00 35.34 H new ATOM 0 HG23 THR A 15 1.065 -13.290 12.985 1.00 35.34 H new ATOM 211 N SER A 16 1.943 -16.156 14.386 1.00 55.32 N ATOM 212 CA SER A 16 2.787 -16.385 15.512 1.00 22.53 C ATOM 213 C SER A 16 3.658 -15.126 15.728 1.00 32.44 C ATOM 214 O SER A 16 4.627 -14.902 14.997 1.00 0.22 O ATOM 215 CB SER A 16 3.653 -17.627 15.225 1.00 43.12 C ATOM 216 OG SER A 16 4.423 -18.034 16.343 1.00 44.44 O ATOM 0 H SER A 16 2.454 -16.001 13.517 1.00 55.32 H new ATOM 0 HA SER A 16 2.209 -16.568 16.418 1.00 22.53 H new ATOM 0 HB2 SER A 16 3.008 -18.450 14.916 1.00 43.12 H new ATOM 0 HB3 SER A 16 4.320 -17.413 14.390 1.00 43.12 H new ATOM 0 HG SER A 16 4.951 -18.825 16.106 1.00 44.44 H new ATOM 222 N VAL A 17 3.265 -14.277 16.679 1.00 61.30 N ATOM 223 CA VAL A 17 3.987 -13.041 16.974 1.00 3.40 C ATOM 224 C VAL A 17 4.271 -12.918 18.458 1.00 71.53 C ATOM 225 O VAL A 17 3.755 -13.696 19.266 1.00 13.40 O ATOM 226 CB VAL A 17 3.211 -11.766 16.528 1.00 23.33 C ATOM 227 CG1 VAL A 17 3.166 -11.634 15.023 1.00 70.34 C ATOM 228 CG2 VAL A 17 1.800 -11.746 17.103 1.00 25.20 C ATOM 0 H VAL A 17 2.442 -14.427 17.263 1.00 61.30 H new ATOM 0 HA VAL A 17 4.916 -13.103 16.407 1.00 3.40 H new ATOM 0 HB VAL A 17 3.757 -10.910 16.924 1.00 23.33 H new ATOM 0 HG11 VAL A 17 2.616 -10.732 14.753 1.00 70.34 H new ATOM 0 HG12 VAL A 17 4.182 -11.570 14.633 1.00 70.34 H new ATOM 0 HG13 VAL A 17 2.668 -12.504 14.596 1.00 70.34 H new ATOM 0 HG21 VAL A 17 1.285 -10.844 16.773 1.00 25.20 H new ATOM 0 HG22 VAL A 17 1.253 -12.623 16.756 1.00 25.20 H new ATOM 0 HG23 VAL A 17 1.851 -11.757 18.192 1.00 25.20 H new ATOM 616 N GLY A 45 4.114 -15.889 -0.831 1.00 22.15 N ATOM 617 CA GLY A 45 2.905 -16.151 -0.077 1.00 14.53 C ATOM 618 C GLY A 45 2.495 -14.914 0.674 1.00 32.11 C ATOM 619 O GLY A 45 1.921 -14.978 1.760 1.00 74.54 O ATOM 0 HA2 GLY A 45 2.106 -16.461 -0.750 1.00 14.53 H new ATOM 0 HA3 GLY A 45 3.071 -16.972 0.620 1.00 14.53 H new ATOM 623 N SER A 46 2.788 -13.797 0.070 1.00 62.10 N ATOM 624 CA SER A 46 2.543 -12.500 0.632 1.00 24.13 C ATOM 625 C SER A 46 1.165 -11.998 0.228 1.00 31.22 C ATOM 626 O SER A 46 0.501 -12.598 -0.628 1.00 22.11 O ATOM 627 CB SER A 46 3.600 -11.538 0.125 1.00 53.15 C ATOM 628 OG SER A 46 4.903 -12.049 0.341 1.00 34.12 O ATOM 0 H SER A 46 3.217 -13.764 -0.855 1.00 62.10 H new ATOM 0 HA SER A 46 2.585 -12.566 1.719 1.00 24.13 H new ATOM 0 HB2 SER A 46 3.450 -11.356 -0.939 1.00 53.15 H new ATOM 0 HB3 SER A 46 3.494 -10.578 0.631 1.00 53.15 H new ATOM 0 HG SER A 46 5.565 -11.416 -0.008 1.00 34.12 H new ATOM 634 N ALA A 47 0.734 -10.939 0.863 1.00 64.41 N ATOM 635 CA ALA A 47 -0.529 -10.321 0.574 1.00 53.50 C ATOM 636 C ALA A 47 -0.306 -9.166 -0.405 1.00 51.42 C ATOM 637 O ALA A 47 0.849 -8.858 -0.752 1.00 32.41 O ATOM 638 CB ALA A 47 -1.138 -9.832 1.858 1.00 3.30 C ATOM 0 H ALA A 47 1.260 -10.477 1.605 1.00 64.41 H new ATOM 0 HA ALA A 47 -1.212 -11.036 0.116 1.00 53.50 H new ATOM 0 HB1 ALA A 47 -2.098 -9.361 1.649 1.00 3.30 H new ATOM 0 HB2 ALA A 47 -1.287 -10.674 2.534 1.00 3.30 H new ATOM 0 HB3 ALA A 47 -0.471 -9.106 2.324 1.00 3.30 H new ATOM 644 N LEU A 48 -1.377 -8.517 -0.827 1.00 11.10 N ATOM 645 CA LEU A 48 -1.279 -7.484 -1.836 1.00 55.55 C ATOM 646 C LEU A 48 -2.069 -6.234 -1.473 1.00 43.14 C ATOM 647 O LEU A 48 -2.984 -6.271 -0.637 1.00 73.43 O ATOM 648 CB LEU A 48 -1.626 -8.013 -3.281 1.00 43.33 C ATOM 649 CG LEU A 48 -3.050 -8.608 -3.614 1.00 3.33 C ATOM 650 CD1 LEU A 48 -3.428 -9.804 -2.751 1.00 4.43 C ATOM 651 CD2 LEU A 48 -4.150 -7.549 -3.611 1.00 22.25 C ATOM 0 H LEU A 48 -2.323 -8.689 -0.485 1.00 11.10 H new ATOM 0 HA LEU A 48 -0.230 -7.187 -1.861 1.00 55.55 H new ATOM 0 HB2 LEU A 48 -1.457 -7.187 -3.972 1.00 43.33 H new ATOM 0 HB3 LEU A 48 -0.894 -8.784 -3.522 1.00 43.33 H new ATOM 0 HG LEU A 48 -2.963 -8.981 -4.635 1.00 3.33 H new ATOM 0 HD11 LEU A 48 -4.418 -10.160 -3.036 1.00 4.43 H new ATOM 0 HD12 LEU A 48 -2.700 -10.602 -2.896 1.00 4.43 H new ATOM 0 HD13 LEU A 48 -3.437 -9.508 -1.702 1.00 4.43 H new ATOM 0 HD21 LEU A 48 -5.106 -8.017 -3.846 1.00 22.25 H new ATOM 0 HD22 LEU A 48 -4.206 -7.085 -2.626 1.00 22.25 H new ATOM 0 HD23 LEU A 48 -3.925 -6.788 -4.358 1.00 22.25 H new ATOM 663 N LEU A 49 -1.720 -5.150 -2.101 1.00 72.23 N ATOM 664 CA LEU A 49 -2.361 -3.881 -1.889 1.00 14.30 C ATOM 665 C LEU A 49 -2.715 -3.245 -3.226 1.00 12.40 C ATOM 666 O LEU A 49 -1.994 -3.422 -4.216 1.00 73.45 O ATOM 667 CB LEU A 49 -1.466 -2.983 -0.991 1.00 22.31 C ATOM 668 CG LEU A 49 0.030 -2.844 -1.377 1.00 13.51 C ATOM 669 CD1 LEU A 49 0.234 -1.951 -2.581 1.00 11.33 C ATOM 670 CD2 LEU A 49 0.857 -2.357 -0.198 1.00 61.32 C ATOM 0 H LEU A 49 -0.967 -5.120 -2.789 1.00 72.23 H new ATOM 0 HA LEU A 49 -3.302 -4.016 -1.355 1.00 14.30 H new ATOM 0 HB2 LEU A 49 -1.902 -1.984 -0.974 1.00 22.31 H new ATOM 0 HB3 LEU A 49 -1.516 -3.370 0.027 1.00 22.31 H new ATOM 0 HG LEU A 49 0.376 -3.840 -1.654 1.00 13.51 H new ATOM 0 HD11 LEU A 49 1.298 -1.887 -2.810 1.00 11.33 H new ATOM 0 HD12 LEU A 49 -0.297 -2.367 -3.437 1.00 11.33 H new ATOM 0 HD13 LEU A 49 -0.152 -0.955 -2.365 1.00 11.33 H new ATOM 0 HD21 LEU A 49 1.901 -2.269 -0.498 1.00 61.32 H new ATOM 0 HD22 LEU A 49 0.489 -1.384 0.127 1.00 61.32 H new ATOM 0 HD23 LEU A 49 0.774 -3.069 0.623 1.00 61.32 H new ATOM 682 N VAL A 50 -3.835 -2.564 -3.271 1.00 71.30 N ATOM 683 CA VAL A 50 -4.310 -1.922 -4.483 1.00 54.33 C ATOM 684 C VAL A 50 -4.540 -0.446 -4.187 1.00 51.45 C ATOM 685 O VAL A 50 -5.047 -0.101 -3.123 1.00 62.10 O ATOM 686 CB VAL A 50 -5.657 -2.554 -4.979 1.00 15.11 C ATOM 687 CG1 VAL A 50 -6.094 -1.965 -6.318 1.00 73.12 C ATOM 688 CG2 VAL A 50 -5.566 -4.076 -5.068 1.00 30.51 C ATOM 0 H VAL A 50 -4.449 -2.436 -2.466 1.00 71.30 H new ATOM 0 HA VAL A 50 -3.562 -2.058 -5.264 1.00 54.33 H new ATOM 0 HB VAL A 50 -6.415 -2.305 -4.237 1.00 15.11 H new ATOM 0 HG11 VAL A 50 -7.031 -2.427 -6.630 1.00 73.12 H new ATOM 0 HG12 VAL A 50 -6.237 -0.889 -6.213 1.00 73.12 H new ATOM 0 HG13 VAL A 50 -5.327 -2.158 -7.068 1.00 73.12 H new ATOM 0 HG21 VAL A 50 -6.518 -4.478 -5.415 1.00 30.51 H new ATOM 0 HG22 VAL A 50 -4.778 -4.353 -5.769 1.00 30.51 H new ATOM 0 HG23 VAL A 50 -5.337 -4.485 -4.084 1.00 30.51 H new ATOM 698 N VAL A 51 -4.184 0.417 -5.099 1.00 43.53 N ATOM 699 CA VAL A 51 -4.380 1.832 -4.889 1.00 32.33 C ATOM 700 C VAL A 51 -5.715 2.237 -5.458 1.00 50.31 C ATOM 701 O VAL A 51 -5.969 2.116 -6.662 1.00 31.22 O ATOM 702 CB VAL A 51 -3.252 2.684 -5.527 1.00 21.34 C ATOM 703 CG1 VAL A 51 -3.455 4.159 -5.226 1.00 50.23 C ATOM 704 CG2 VAL A 51 -1.889 2.237 -5.030 1.00 11.13 C ATOM 0 H VAL A 51 -3.758 0.170 -5.992 1.00 43.53 H new ATOM 0 HA VAL A 51 -4.354 2.018 -3.815 1.00 32.33 H new ATOM 0 HB VAL A 51 -3.294 2.537 -6.606 1.00 21.34 H new ATOM 0 HG11 VAL A 51 -2.652 4.737 -5.683 1.00 50.23 H new ATOM 0 HG12 VAL A 51 -4.413 4.485 -5.631 1.00 50.23 H new ATOM 0 HG13 VAL A 51 -3.446 4.315 -4.147 1.00 50.23 H new ATOM 0 HG21 VAL A 51 -1.115 2.849 -5.492 1.00 11.13 H new ATOM 0 HG22 VAL A 51 -1.842 2.349 -3.947 1.00 11.13 H new ATOM 0 HG23 VAL A 51 -1.730 1.191 -5.294 1.00 11.13 H new ATOM 714 N LYS A 52 -6.566 2.677 -4.575 1.00 72.41 N ATOM 715 CA LYS A 52 -7.899 3.097 -4.899 1.00 21.13 C ATOM 716 C LYS A 52 -7.832 4.473 -5.532 1.00 23.22 C ATOM 717 O LYS A 52 -8.416 4.729 -6.580 1.00 51.33 O ATOM 718 CB LYS A 52 -8.710 3.148 -3.598 1.00 31.32 C ATOM 719 CG LYS A 52 -10.175 3.512 -3.739 1.00 73.24 C ATOM 720 CD LYS A 52 -10.831 3.543 -2.371 1.00 12.54 C ATOM 721 CE LYS A 52 -12.334 3.726 -2.457 1.00 64.33 C ATOM 722 NZ LYS A 52 -12.959 3.644 -1.121 1.00 64.32 N ATOM 0 H LYS A 52 -6.345 2.755 -3.582 1.00 72.41 H new ATOM 0 HA LYS A 52 -8.372 2.407 -5.598 1.00 21.13 H new ATOM 0 HB2 LYS A 52 -8.644 2.174 -3.114 1.00 31.32 H new ATOM 0 HB3 LYS A 52 -8.240 3.869 -2.929 1.00 31.32 H new ATOM 0 HG2 LYS A 52 -10.273 4.485 -4.221 1.00 73.24 H new ATOM 0 HG3 LYS A 52 -10.679 2.787 -4.378 1.00 73.24 H new ATOM 0 HD2 LYS A 52 -10.610 2.615 -1.843 1.00 12.54 H new ATOM 0 HD3 LYS A 52 -10.402 4.354 -1.783 1.00 12.54 H new ATOM 0 HE2 LYS A 52 -12.560 4.692 -2.909 1.00 64.33 H new ATOM 0 HE3 LYS A 52 -12.759 2.962 -3.108 1.00 64.33 H new ATOM 0 HZ1 LYS A 52 -13.950 3.955 -1.182 1.00 64.32 H new ATOM 0 HZ2 LYS A 52 -12.924 2.662 -0.781 1.00 64.32 H new ATOM 0 HZ3 LYS A 52 -12.444 4.258 -0.458 1.00 64.32 H new ATOM 736 N ARG A 53 -7.066 5.325 -4.917 1.00 42.10 N ATOM 737 CA ARG A 53 -6.944 6.697 -5.344 1.00 3.53 C ATOM 738 C ARG A 53 -5.582 7.193 -4.952 1.00 64.14 C ATOM 739 O ARG A 53 -5.301 7.290 -3.763 1.00 20.35 O ATOM 740 CB ARG A 53 -8.016 7.553 -4.630 1.00 72.21 C ATOM 741 CG ARG A 53 -8.075 9.037 -5.030 1.00 60.43 C ATOM 742 CD ARG A 53 -8.647 9.245 -6.433 1.00 62.40 C ATOM 743 NE ARG A 53 -7.797 8.701 -7.497 1.00 61.30 N ATOM 744 CZ ARG A 53 -8.231 7.964 -8.533 1.00 50.40 C ATOM 745 NH1 ARG A 53 -9.529 7.756 -8.715 1.00 41.05 N ATOM 746 NH2 ARG A 53 -7.363 7.480 -9.399 1.00 11.44 N ATOM 0 H ARG A 53 -6.503 5.091 -4.099 1.00 42.10 H new ATOM 0 HA ARG A 53 -7.081 6.769 -6.423 1.00 3.53 H new ATOM 0 HB2 ARG A 53 -8.993 7.108 -4.820 1.00 72.21 H new ATOM 0 HB3 ARG A 53 -7.842 7.494 -3.556 1.00 72.21 H new ATOM 0 HG2 ARG A 53 -8.685 9.580 -4.308 1.00 60.43 H new ATOM 0 HG3 ARG A 53 -7.072 9.462 -4.984 1.00 60.43 H new ATOM 0 HD2 ARG A 53 -9.630 8.777 -6.489 1.00 62.40 H new ATOM 0 HD3 ARG A 53 -8.791 10.312 -6.604 1.00 62.40 H new ATOM 0 HE ARG A 53 -6.797 8.898 -7.446 1.00 61.30 H new ATOM 0 HH11 ARG A 53 -10.206 8.157 -8.066 1.00 41.05 H new ATOM 0 HH12 ARG A 53 -9.850 7.195 -9.504 1.00 41.05 H new ATOM 0 HH21 ARG A 53 -6.367 7.666 -9.281 1.00 11.44 H new ATOM 0 HH22 ARG A 53 -7.687 6.920 -10.187 1.00 11.44 H new ATOM 760 N GLY A 54 -4.720 7.441 -5.912 1.00 42.41 N ATOM 761 CA GLY A 54 -3.443 7.992 -5.569 1.00 44.03 C ATOM 762 C GLY A 54 -2.378 7.836 -6.634 1.00 75.13 C ATOM 763 O GLY A 54 -1.977 6.712 -6.949 1.00 55.02 O ATOM 0 H GLY A 54 -4.878 7.274 -6.906 1.00 42.41 H new ATOM 0 HA2 GLY A 54 -3.567 9.053 -5.352 1.00 44.03 H new ATOM 0 HA3 GLY A 54 -3.093 7.518 -4.652 1.00 44.03 H new ATOM 767 N PRO A 55 -1.841 8.972 -7.171 1.00 73.01 N ATOM 768 CA PRO A 55 -0.740 8.973 -8.158 1.00 53.30 C ATOM 769 C PRO A 55 0.557 8.392 -7.579 1.00 53.42 C ATOM 770 O PRO A 55 1.558 8.242 -8.288 1.00 52.03 O ATOM 771 CB PRO A 55 -0.566 10.443 -8.545 1.00 11.53 C ATOM 772 CG PRO A 55 -1.208 11.214 -7.452 1.00 60.33 C ATOM 773 CD PRO A 55 -2.304 10.349 -6.902 1.00 4.54 C ATOM 0 HA PRO A 55 -0.972 8.343 -9.016 1.00 53.30 H new ATOM 0 HB2 PRO A 55 0.488 10.702 -8.642 1.00 11.53 H new ATOM 0 HB3 PRO A 55 -1.036 10.655 -9.505 1.00 11.53 H new ATOM 0 HG2 PRO A 55 -0.484 11.462 -6.676 1.00 60.33 H new ATOM 0 HG3 PRO A 55 -1.609 12.156 -7.826 1.00 60.33 H new ATOM 0 HD2 PRO A 55 -2.450 10.520 -5.835 1.00 4.54 H new ATOM 0 HD3 PRO A 55 -3.257 10.553 -7.391 1.00 4.54 H new ATOM 781 N ASN A 56 0.531 8.133 -6.247 1.00 31.35 N ATOM 782 CA ASN A 56 1.599 7.423 -5.506 1.00 74.24 C ATOM 783 C ASN A 56 2.023 6.196 -6.347 1.00 64.33 C ATOM 784 O ASN A 56 3.203 5.886 -6.466 1.00 60.14 O ATOM 785 CB ASN A 56 0.999 6.900 -4.172 1.00 63.13 C ATOM 786 CG ASN A 56 1.987 6.205 -3.192 1.00 61.11 C ATOM 787 OD1 ASN A 56 1.776 6.242 -2.010 1.00 41.03 O ATOM 788 ND2 ASN A 56 3.054 5.602 -3.663 1.00 31.44 N ATOM 0 H ASN A 56 -0.246 8.417 -5.650 1.00 31.35 H new ATOM 0 HA ASN A 56 2.445 8.084 -5.318 1.00 74.24 H new ATOM 0 HB2 ASN A 56 0.538 7.740 -3.653 1.00 63.13 H new ATOM 0 HB3 ASN A 56 0.202 6.196 -4.409 1.00 63.13 H new ATOM 0 HD21 ASN A 56 3.714 5.159 -3.023 1.00 31.44 H new ATOM 0 HD22 ASN A 56 3.223 5.577 -4.669 1.00 31.44 H new ATOM 795 N ALA A 57 1.024 5.516 -6.912 1.00 0.24 N ATOM 796 CA ALA A 57 1.236 4.381 -7.787 1.00 74.52 C ATOM 797 C ALA A 57 0.043 4.246 -8.731 1.00 51.22 C ATOM 798 O ALA A 57 0.162 4.455 -9.937 1.00 11.05 O ATOM 799 CB ALA A 57 1.450 3.096 -6.986 1.00 5.43 C ATOM 0 H ALA A 57 0.041 5.746 -6.769 1.00 0.24 H new ATOM 0 HA ALA A 57 2.140 4.548 -8.372 1.00 74.52 H new ATOM 0 HB1 ALA A 57 1.606 2.262 -7.671 1.00 5.43 H new ATOM 0 HB2 ALA A 57 2.325 3.208 -6.345 1.00 5.43 H new ATOM 0 HB3 ALA A 57 0.572 2.900 -6.371 1.00 5.43 H new ATOM 805 N GLY A 58 -1.121 3.963 -8.162 1.00 33.33 N ATOM 806 CA GLY A 58 -2.327 3.804 -8.961 1.00 60.43 C ATOM 807 C GLY A 58 -2.397 2.432 -9.600 1.00 32.54 C ATOM 808 O GLY A 58 -2.900 2.270 -10.706 1.00 24.43 O ATOM 0 H GLY A 58 -1.255 3.840 -7.158 1.00 33.33 H new ATOM 0 HA2 GLY A 58 -3.204 3.958 -8.332 1.00 60.43 H new ATOM 0 HA3 GLY A 58 -2.353 4.569 -9.737 1.00 60.43 H new ATOM 812 N ALA A 59 -1.908 1.449 -8.893 1.00 54.24 N ATOM 813 CA ALA A 59 -1.851 0.093 -9.377 1.00 75.23 C ATOM 814 C ALA A 59 -1.967 -0.834 -8.186 1.00 73.42 C ATOM 815 O ALA A 59 -2.371 -0.394 -7.103 1.00 31.43 O ATOM 816 CB ALA A 59 -0.526 -0.126 -10.102 1.00 75.11 C ATOM 0 H ALA A 59 -1.533 1.567 -7.952 1.00 54.24 H new ATOM 0 HA ALA A 59 -2.663 -0.107 -10.076 1.00 75.23 H new ATOM 0 HB1 ALA A 59 -0.478 -1.151 -10.470 1.00 75.11 H new ATOM 0 HB2 ALA A 59 -0.452 0.565 -10.942 1.00 75.11 H new ATOM 0 HB3 ALA A 59 0.300 0.051 -9.413 1.00 75.11 H new ATOM 822 N ARG A 60 -1.633 -2.083 -8.369 1.00 43.45 N ATOM 823 CA ARG A 60 -1.645 -3.037 -7.287 1.00 53.25 C ATOM 824 C ARG A 60 -0.271 -3.681 -7.257 1.00 63.22 C ATOM 825 O ARG A 60 0.403 -3.712 -8.300 1.00 34.20 O ATOM 826 CB ARG A 60 -2.711 -4.142 -7.516 1.00 63.35 C ATOM 827 CG ARG A 60 -2.323 -5.171 -8.579 1.00 62.33 C ATOM 828 CD ARG A 60 -3.268 -6.363 -8.623 1.00 1.11 C ATOM 829 NE ARG A 60 -2.573 -7.549 -9.158 1.00 31.42 N ATOM 830 CZ ARG A 60 -3.143 -8.708 -9.522 1.00 23.45 C ATOM 831 NH1 ARG A 60 -4.474 -8.827 -9.584 1.00 61.30 N ATOM 832 NH2 ARG A 60 -2.371 -9.760 -9.828 1.00 0.42 N ATOM 0 H ARG A 60 -1.345 -2.469 -9.268 1.00 43.45 H new ATOM 0 HA ARG A 60 -1.887 -2.531 -6.352 1.00 53.25 H new ATOM 0 HB2 ARG A 60 -2.891 -4.659 -6.574 1.00 63.35 H new ATOM 0 HB3 ARG A 60 -3.650 -3.671 -7.806 1.00 63.35 H new ATOM 0 HG2 ARG A 60 -2.309 -4.689 -9.556 1.00 62.33 H new ATOM 0 HG3 ARG A 60 -1.310 -5.524 -8.383 1.00 62.33 H new ATOM 0 HD2 ARG A 60 -3.644 -6.574 -7.622 1.00 1.11 H new ATOM 0 HD3 ARG A 60 -4.132 -6.128 -9.245 1.00 1.11 H new ATOM 0 HE ARG A 60 -1.560 -7.482 -9.261 1.00 31.42 H new ATOM 0 HH11 ARG A 60 -5.069 -8.031 -9.353 1.00 61.30 H new ATOM 0 HH12 ARG A 60 -4.894 -9.714 -9.862 1.00 61.30 H new ATOM 0 HH21 ARG A 60 -1.355 -9.677 -9.784 1.00 0.42 H new ATOM 0 HH22 ARG A 60 -2.799 -10.643 -10.105 1.00 0.42 H new ATOM 846 N PHE A 61 0.165 -4.149 -6.113 1.00 63.20 N ATOM 847 CA PHE A 61 1.390 -4.896 -6.046 1.00 14.42 C ATOM 848 C PHE A 61 1.451 -5.805 -4.843 1.00 2.14 C ATOM 849 O PHE A 61 0.846 -5.532 -3.790 1.00 52.22 O ATOM 850 CB PHE A 61 2.683 -4.048 -6.209 1.00 31.41 C ATOM 851 CG PHE A 61 2.952 -2.969 -5.187 1.00 4.43 C ATOM 852 CD1 PHE A 61 3.613 -3.264 -4.000 1.00 42.34 C ATOM 853 CD2 PHE A 61 2.589 -1.655 -5.435 1.00 13.41 C ATOM 854 CE1 PHE A 61 3.896 -2.273 -3.082 1.00 21.33 C ATOM 855 CE2 PHE A 61 2.875 -0.659 -4.524 1.00 75.22 C ATOM 856 CZ PHE A 61 3.528 -0.970 -3.345 1.00 64.20 C ATOM 0 H PHE A 61 -0.311 -4.025 -5.220 1.00 63.20 H new ATOM 0 HA PHE A 61 1.364 -5.531 -6.931 1.00 14.42 H new ATOM 0 HB2 PHE A 61 3.533 -4.730 -6.207 1.00 31.41 H new ATOM 0 HB3 PHE A 61 2.653 -3.578 -7.192 1.00 31.41 H new ATOM 0 HD1 PHE A 61 3.909 -4.282 -3.794 1.00 42.34 H new ATOM 0 HD2 PHE A 61 2.076 -1.407 -6.353 1.00 13.41 H new ATOM 0 HE1 PHE A 61 4.404 -2.517 -2.161 1.00 21.33 H new ATOM 0 HE2 PHE A 61 2.589 0.362 -4.731 1.00 75.22 H new ATOM 0 HZ PHE A 61 3.750 -0.192 -2.630 1.00 64.20 H new ATOM 866 N LEU A 62 2.150 -6.887 -5.037 1.00 61.52 N ATOM 867 CA LEU A 62 2.397 -7.898 -4.049 1.00 60.40 C ATOM 868 C LEU A 62 3.631 -7.482 -3.270 1.00 41.42 C ATOM 869 O LEU A 62 4.563 -6.909 -3.849 1.00 0.54 O ATOM 870 CB LEU A 62 2.672 -9.226 -4.774 1.00 40.14 C ATOM 871 CG LEU A 62 2.856 -10.470 -3.908 1.00 0.31 C ATOM 872 CD1 LEU A 62 1.562 -10.830 -3.215 1.00 71.04 C ATOM 873 CD2 LEU A 62 3.361 -11.637 -4.744 1.00 62.53 C ATOM 0 H LEU A 62 2.585 -7.098 -5.935 1.00 61.52 H new ATOM 0 HA LEU A 62 1.546 -8.017 -3.378 1.00 60.40 H new ATOM 0 HB2 LEU A 62 1.847 -9.412 -5.462 1.00 40.14 H new ATOM 0 HB3 LEU A 62 3.570 -9.100 -5.380 1.00 40.14 H new ATOM 0 HG LEU A 62 3.603 -10.249 -3.146 1.00 0.31 H new ATOM 0 HD11 LEU A 62 1.712 -11.719 -2.602 1.00 71.04 H new ATOM 0 HD12 LEU A 62 1.246 -10.002 -2.581 1.00 71.04 H new ATOM 0 HD13 LEU A 62 0.793 -11.029 -3.961 1.00 71.04 H new ATOM 0 HD21 LEU A 62 3.485 -12.513 -4.108 1.00 62.53 H new ATOM 0 HD22 LEU A 62 2.641 -11.859 -5.531 1.00 62.53 H new ATOM 0 HD23 LEU A 62 4.319 -11.375 -5.193 1.00 62.53 H new ATOM 885 N LEU A 63 3.629 -7.686 -1.977 1.00 3.32 N ATOM 886 CA LEU A 63 4.805 -7.349 -1.193 1.00 70.12 C ATOM 887 C LEU A 63 5.871 -8.431 -1.352 1.00 73.51 C ATOM 888 O LEU A 63 5.678 -9.579 -0.948 1.00 24.52 O ATOM 889 CB LEU A 63 4.472 -7.131 0.308 1.00 54.31 C ATOM 890 CG LEU A 63 3.646 -5.873 0.698 1.00 31.23 C ATOM 891 CD1 LEU A 63 4.309 -4.593 0.206 1.00 63.02 C ATOM 892 CD2 LEU A 63 2.197 -5.959 0.226 1.00 33.45 C ATOM 0 H LEU A 63 2.848 -8.075 -1.448 1.00 3.32 H new ATOM 0 HA LEU A 63 5.190 -6.403 -1.575 1.00 70.12 H new ATOM 0 HB2 LEU A 63 3.930 -8.009 0.660 1.00 54.31 H new ATOM 0 HB3 LEU A 63 5.413 -7.096 0.857 1.00 54.31 H new ATOM 0 HG LEU A 63 3.625 -5.842 1.787 1.00 31.23 H new ATOM 0 HD11 LEU A 63 3.703 -3.735 0.497 1.00 63.02 H new ATOM 0 HD12 LEU A 63 5.301 -4.504 0.648 1.00 63.02 H new ATOM 0 HD13 LEU A 63 4.397 -4.623 -0.880 1.00 63.02 H new ATOM 0 HD21 LEU A 63 1.663 -5.056 0.523 1.00 33.45 H new ATOM 0 HD22 LEU A 63 2.173 -6.054 -0.860 1.00 33.45 H new ATOM 0 HD23 LEU A 63 1.719 -6.828 0.677 1.00 33.45 H new ATOM 904 N ASP A 64 6.972 -8.065 -1.945 1.00 33.02 N ATOM 905 CA ASP A 64 8.090 -8.980 -2.150 1.00 64.35 C ATOM 906 C ASP A 64 9.370 -8.359 -1.610 1.00 13.42 C ATOM 907 O ASP A 64 10.443 -8.972 -1.604 1.00 13.24 O ATOM 908 CB ASP A 64 8.241 -9.374 -3.643 1.00 24.12 C ATOM 909 CG ASP A 64 8.574 -8.212 -4.573 1.00 2.43 C ATOM 910 OD1 ASP A 64 7.650 -7.518 -5.047 1.00 12.34 O ATOM 911 OD2 ASP A 64 9.761 -8.005 -4.881 1.00 43.15 O ATOM 0 H ASP A 64 7.133 -7.124 -2.305 1.00 33.02 H new ATOM 0 HA ASP A 64 7.887 -9.899 -1.601 1.00 64.35 H new ATOM 0 HB2 ASP A 64 9.024 -10.128 -3.729 1.00 24.12 H new ATOM 0 HB3 ASP A 64 7.313 -9.838 -3.979 1.00 24.12 H new ATOM 916 N GLN A 65 9.242 -7.153 -1.132 1.00 14.42 N ATOM 917 CA GLN A 65 10.320 -6.423 -0.564 1.00 0.22 C ATOM 918 C GLN A 65 10.090 -6.263 0.950 1.00 43.10 C ATOM 919 O GLN A 65 9.126 -5.624 1.373 1.00 72.02 O ATOM 920 CB GLN A 65 10.582 -5.065 -1.319 1.00 1.34 C ATOM 921 CG GLN A 65 9.501 -3.935 -1.288 1.00 11.22 C ATOM 922 CD GLN A 65 8.135 -4.222 -1.969 1.00 60.43 C ATOM 923 OE1 GLN A 65 7.629 -5.331 -1.996 1.00 40.02 O ATOM 924 NE2 GLN A 65 7.563 -3.220 -2.577 1.00 30.24 N ATOM 0 H GLN A 65 8.358 -6.645 -1.131 1.00 14.42 H new ATOM 0 HA GLN A 65 11.244 -6.986 -0.694 1.00 0.22 H new ATOM 0 HB2 GLN A 65 11.504 -4.643 -0.919 1.00 1.34 H new ATOM 0 HB3 GLN A 65 10.770 -5.306 -2.365 1.00 1.34 H new ATOM 0 HG2 GLN A 65 9.309 -3.683 -0.245 1.00 11.22 H new ATOM 0 HG3 GLN A 65 9.929 -3.049 -1.756 1.00 11.22 H new ATOM 0 HE21 GLN A 65 7.992 -2.295 -2.550 1.00 30.24 H new ATOM 0 HE22 GLN A 65 6.687 -3.361 -3.079 1.00 30.24 H new ATOM 933 N PRO A 66 10.974 -6.897 1.785 1.00 20.25 N ATOM 934 CA PRO A 66 10.829 -6.972 3.258 1.00 24.44 C ATOM 935 C PRO A 66 10.559 -5.638 3.967 1.00 35.35 C ATOM 936 O PRO A 66 9.851 -5.590 4.987 1.00 44.42 O ATOM 937 CB PRO A 66 12.153 -7.587 3.744 1.00 3.44 C ATOM 938 CG PRO A 66 13.067 -7.541 2.568 1.00 51.01 C ATOM 939 CD PRO A 66 12.193 -7.600 1.352 1.00 63.02 C ATOM 0 HA PRO A 66 9.944 -7.560 3.502 1.00 24.44 H new ATOM 0 HB2 PRO A 66 12.563 -7.024 4.582 1.00 3.44 H new ATOM 0 HB3 PRO A 66 12.007 -8.611 4.088 1.00 3.44 H new ATOM 0 HG2 PRO A 66 13.663 -6.628 2.574 1.00 51.01 H new ATOM 0 HG3 PRO A 66 13.765 -8.378 2.586 1.00 51.01 H new ATOM 0 HD2 PRO A 66 12.659 -7.111 0.496 1.00 63.02 H new ATOM 0 HD3 PRO A 66 11.982 -8.628 1.056 1.00 63.02 H new ATOM 947 N THR A 67 11.128 -4.585 3.474 1.00 2.03 N ATOM 948 CA THR A 67 10.899 -3.291 4.036 1.00 71.53 C ATOM 949 C THR A 67 10.615 -2.292 2.930 1.00 44.43 C ATOM 950 O THR A 67 11.510 -1.902 2.173 1.00 63.01 O ATOM 951 CB THR A 67 12.093 -2.849 4.913 1.00 42.54 C ATOM 952 OG1 THR A 67 12.260 -3.815 5.972 1.00 44.52 O ATOM 953 CG2 THR A 67 11.851 -1.469 5.523 1.00 73.00 C ATOM 0 H THR A 67 11.761 -4.596 2.675 1.00 2.03 H new ATOM 0 HA THR A 67 10.025 -3.337 4.686 1.00 71.53 H new ATOM 0 HB THR A 67 12.987 -2.792 4.292 1.00 42.54 H new ATOM 0 HG1 THR A 67 13.015 -3.552 6.539 1.00 44.52 H new ATOM 0 HG21 THR A 67 12.708 -1.186 6.134 1.00 73.00 H new ATOM 0 HG22 THR A 67 11.716 -0.738 4.726 1.00 73.00 H new ATOM 0 HG23 THR A 67 10.956 -1.498 6.144 1.00 73.00 H new ATOM 961 N THR A 68 9.371 -1.920 2.806 1.00 44.23 N ATOM 962 CA THR A 68 8.979 -0.995 1.800 1.00 24.23 C ATOM 963 C THR A 68 8.789 0.369 2.454 1.00 45.42 C ATOM 964 O THR A 68 7.895 0.551 3.274 1.00 33.20 O ATOM 965 CB THR A 68 7.642 -1.431 1.196 1.00 71.43 C ATOM 966 OG1 THR A 68 7.635 -2.853 1.022 1.00 22.53 O ATOM 967 CG2 THR A 68 7.427 -0.772 -0.153 1.00 62.00 C ATOM 0 H THR A 68 8.611 -2.252 3.399 1.00 44.23 H new ATOM 0 HA THR A 68 9.739 -0.952 1.020 1.00 24.23 H new ATOM 0 HB THR A 68 6.843 -1.131 1.874 1.00 71.43 H new ATOM 0 HG1 THR A 68 6.949 -3.099 0.367 1.00 22.53 H new ATOM 0 HG21 THR A 68 6.471 -1.094 -0.567 1.00 62.00 H new ATOM 0 HG22 THR A 68 7.424 0.311 -0.032 1.00 62.00 H new ATOM 0 HG23 THR A 68 8.231 -1.059 -0.831 1.00 62.00 H new ATOM 975 N THR A 69 9.617 1.296 2.121 1.00 63.00 N ATOM 976 CA THR A 69 9.484 2.615 2.644 1.00 32.42 C ATOM 977 C THR A 69 8.667 3.448 1.665 1.00 4.14 C ATOM 978 O THR A 69 8.775 3.258 0.445 1.00 24.33 O ATOM 979 CB THR A 69 10.877 3.240 2.880 1.00 22.33 C ATOM 980 OG1 THR A 69 11.639 2.371 3.742 1.00 54.20 O ATOM 981 CG2 THR A 69 10.767 4.625 3.521 1.00 65.32 C ATOM 0 H THR A 69 10.402 1.166 1.483 1.00 63.00 H new ATOM 0 HA THR A 69 8.970 2.586 3.605 1.00 32.42 H new ATOM 0 HB THR A 69 11.373 3.354 1.916 1.00 22.33 H new ATOM 0 HG1 THR A 69 12.526 2.759 3.896 1.00 54.20 H new ATOM 0 HG21 THR A 69 11.765 5.036 3.673 1.00 65.32 H new ATOM 0 HG22 THR A 69 10.199 5.285 2.866 1.00 65.32 H new ATOM 0 HG23 THR A 69 10.259 4.542 4.482 1.00 65.32 H new ATOM 989 N ALA A 70 7.819 4.292 2.183 1.00 50.23 N ATOM 990 CA ALA A 70 7.021 5.165 1.383 1.00 51.44 C ATOM 991 C ALA A 70 7.323 6.598 1.769 1.00 52.42 C ATOM 992 O ALA A 70 7.261 6.962 2.963 1.00 73.41 O ATOM 993 CB ALA A 70 5.552 4.847 1.578 1.00 75.13 C ATOM 0 H ALA A 70 7.664 4.391 3.186 1.00 50.23 H new ATOM 0 HA ALA A 70 7.257 5.025 0.328 1.00 51.44 H new ATOM 0 HB1 ALA A 70 4.950 5.517 0.964 1.00 75.13 H new ATOM 0 HB2 ALA A 70 5.361 3.815 1.283 1.00 75.13 H new ATOM 0 HB3 ALA A 70 5.287 4.980 2.627 1.00 75.13 H new ATOM 999 N GLY A 71 7.657 7.397 0.799 1.00 53.43 N ATOM 1000 CA GLY A 71 8.012 8.751 1.064 1.00 52.43 C ATOM 1001 C GLY A 71 8.270 9.524 -0.197 1.00 21.30 C ATOM 1002 O GLY A 71 7.576 9.330 -1.204 1.00 12.43 O ATOM 0 H GLY A 71 7.690 7.129 -0.185 1.00 53.43 H new ATOM 0 HA2 GLY A 71 7.212 9.232 1.626 1.00 52.43 H new ATOM 0 HA3 GLY A 71 8.902 8.776 1.692 1.00 52.43 H new ATOM 1006 N ARG A 72 9.272 10.372 -0.152 1.00 33.31 N ATOM 1007 CA ARG A 72 9.580 11.283 -1.257 1.00 35.22 C ATOM 1008 C ARG A 72 10.933 10.956 -1.907 1.00 24.15 C ATOM 1009 O ARG A 72 11.174 11.269 -3.079 1.00 12.14 O ATOM 1010 CB ARG A 72 9.662 12.702 -0.690 1.00 31.31 C ATOM 1011 CG ARG A 72 9.880 13.809 -1.714 1.00 61.23 C ATOM 1012 CD ARG A 72 10.475 15.043 -1.045 1.00 72.41 C ATOM 1013 NE ARG A 72 9.734 15.438 0.165 1.00 3.20 N ATOM 1014 CZ ARG A 72 10.280 16.059 1.229 1.00 53.25 C ATOM 1015 NH1 ARG A 72 11.551 16.461 1.196 1.00 24.14 N ATOM 1016 NH2 ARG A 72 9.545 16.278 2.317 1.00 2.50 N ATOM 0 H ARG A 72 9.902 10.458 0.645 1.00 33.31 H new ATOM 0 HA ARG A 72 8.801 11.183 -2.012 1.00 35.22 H new ATOM 0 HB2 ARG A 72 8.740 12.911 -0.147 1.00 31.31 H new ATOM 0 HB3 ARG A 72 10.475 12.738 0.035 1.00 31.31 H new ATOM 0 HG2 ARG A 72 10.546 13.458 -2.502 1.00 61.23 H new ATOM 0 HG3 ARG A 72 8.933 14.066 -2.188 1.00 61.23 H new ATOM 0 HD2 ARG A 72 11.514 14.845 -0.783 1.00 72.41 H new ATOM 0 HD3 ARG A 72 10.477 15.872 -1.753 1.00 72.41 H new ATOM 0 HE ARG A 72 8.737 15.226 0.200 1.00 3.20 H new ATOM 0 HH11 ARG A 72 12.116 16.299 0.362 1.00 24.14 H new ATOM 0 HH12 ARG A 72 11.959 16.931 2.005 1.00 24.14 H new ATOM 0 HH21 ARG A 72 8.571 15.976 2.344 1.00 2.50 H new ATOM 0 HH22 ARG A 72 9.956 16.748 3.124 1.00 2.50 H new ATOM 1030 N HIS A 73 11.810 10.355 -1.150 1.00 2.23 N ATOM 1031 CA HIS A 73 13.173 10.150 -1.601 1.00 11.32 C ATOM 1032 C HIS A 73 13.345 8.733 -2.113 1.00 31.22 C ATOM 1033 O HIS A 73 12.568 7.864 -1.746 1.00 70.22 O ATOM 1034 CB HIS A 73 14.181 10.479 -0.465 1.00 62.41 C ATOM 1035 CG HIS A 73 14.116 11.908 0.017 1.00 33.12 C ATOM 1036 ND1 HIS A 73 15.134 12.816 -0.106 1.00 21.24 N ATOM 1037 CD2 HIS A 73 13.119 12.568 0.645 1.00 35.35 C ATOM 1038 CE1 HIS A 73 14.736 13.967 0.432 1.00 11.00 C ATOM 1039 NE2 HIS A 73 13.513 13.870 0.903 1.00 25.53 N ATOM 0 H HIS A 73 11.612 9.996 -0.216 1.00 2.23 H new ATOM 0 HA HIS A 73 13.381 10.831 -2.426 1.00 11.32 H new ATOM 0 HB2 HIS A 73 13.994 9.813 0.377 1.00 62.41 H new ATOM 0 HB3 HIS A 73 15.191 10.271 -0.818 1.00 62.41 H new ATOM 0 HD1 HIS A 73 16.042 12.640 -0.536 1.00 21.24 H new ATOM 0 HD2 HIS A 73 12.160 12.145 0.906 1.00 35.35 H new ATOM 0 HE1 HIS A 73 15.339 14.862 0.476 1.00 11.00 H new ATOM 1047 N PRO A 74 14.362 8.478 -2.985 1.00 3.43 N ATOM 1048 CA PRO A 74 14.623 7.143 -3.598 1.00 72.05 C ATOM 1049 C PRO A 74 14.718 5.991 -2.590 1.00 50.24 C ATOM 1050 O PRO A 74 14.525 4.821 -2.950 1.00 73.45 O ATOM 1051 CB PRO A 74 15.947 7.335 -4.320 1.00 73.02 C ATOM 1052 CG PRO A 74 15.988 8.785 -4.634 1.00 12.24 C ATOM 1053 CD PRO A 74 15.325 9.480 -3.488 1.00 3.00 C ATOM 0 HA PRO A 74 13.797 6.849 -4.245 1.00 72.05 H new ATOM 0 HB2 PRO A 74 16.788 7.040 -3.693 1.00 73.02 H new ATOM 0 HB3 PRO A 74 15.997 6.731 -5.226 1.00 73.02 H new ATOM 0 HG2 PRO A 74 17.016 9.128 -4.755 1.00 12.24 H new ATOM 0 HG3 PRO A 74 15.469 8.995 -5.569 1.00 12.24 H new ATOM 0 HD2 PRO A 74 16.045 9.765 -2.721 1.00 3.00 H new ATOM 0 HD3 PRO A 74 14.823 10.393 -3.809 1.00 3.00 H new ATOM 1061 N GLU A 75 15.001 6.328 -1.332 1.00 11.43 N ATOM 1062 CA GLU A 75 15.043 5.361 -0.238 1.00 55.15 C ATOM 1063 C GLU A 75 13.672 4.690 -0.076 1.00 60.15 C ATOM 1064 O GLU A 75 13.553 3.602 0.489 1.00 45.31 O ATOM 1065 CB GLU A 75 15.432 6.057 1.064 1.00 53.15 C ATOM 1066 CG GLU A 75 16.738 6.823 0.988 1.00 20.33 C ATOM 1067 CD GLU A 75 17.899 5.953 0.596 1.00 3.20 C ATOM 1068 OE1 GLU A 75 18.523 5.349 1.477 1.00 51.24 O ATOM 1069 OE2 GLU A 75 18.233 5.877 -0.598 1.00 61.31 O ATOM 0 H GLU A 75 15.208 7.284 -1.043 1.00 11.43 H new ATOM 0 HA GLU A 75 15.788 4.601 -0.472 1.00 55.15 H new ATOM 0 HB2 GLU A 75 14.635 6.745 1.348 1.00 53.15 H new ATOM 0 HB3 GLU A 75 15.506 5.311 1.855 1.00 53.15 H new ATOM 0 HG2 GLU A 75 16.637 7.634 0.267 1.00 20.33 H new ATOM 0 HG3 GLU A 75 16.943 7.281 1.956 1.00 20.33 H new ATOM 1076 N SER A 76 12.655 5.361 -0.568 1.00 64.31 N ATOM 1077 CA SER A 76 11.328 4.853 -0.583 1.00 0.11 C ATOM 1078 C SER A 76 11.128 4.030 -1.839 1.00 24.34 C ATOM 1079 O SER A 76 11.597 4.405 -2.920 1.00 45.15 O ATOM 1080 CB SER A 76 10.351 6.008 -0.556 1.00 73.40 C ATOM 1081 OG SER A 76 10.599 6.825 0.569 1.00 13.34 O ATOM 0 H SER A 76 12.743 6.293 -0.974 1.00 64.31 H new ATOM 0 HA SER A 76 11.158 4.223 0.290 1.00 0.11 H new ATOM 0 HB2 SER A 76 10.444 6.595 -1.470 1.00 73.40 H new ATOM 0 HB3 SER A 76 9.329 5.630 -0.523 1.00 73.40 H new ATOM 0 HG SER A 76 10.504 7.767 0.316 1.00 13.34 H new ATOM 1087 N ASP A 77 10.449 2.920 -1.711 1.00 60.11 N ATOM 1088 CA ASP A 77 10.222 2.053 -2.848 1.00 64.24 C ATOM 1089 C ASP A 77 9.079 2.595 -3.683 1.00 51.41 C ATOM 1090 O ASP A 77 9.056 2.448 -4.900 1.00 35.13 O ATOM 1091 CB ASP A 77 9.963 0.612 -2.416 1.00 71.22 C ATOM 1092 CG ASP A 77 9.805 -0.325 -3.597 1.00 11.41 C ATOM 1093 OD1 ASP A 77 10.699 -0.353 -4.471 1.00 4.23 O ATOM 1094 OD2 ASP A 77 8.789 -1.039 -3.681 1.00 11.03 O ATOM 0 H ASP A 77 10.043 2.592 -0.835 1.00 60.11 H new ATOM 0 HA ASP A 77 11.125 2.038 -3.458 1.00 64.24 H new ATOM 0 HB2 ASP A 77 10.788 0.269 -1.791 1.00 71.22 H new ATOM 0 HB3 ASP A 77 9.062 0.575 -1.803 1.00 71.22 H new ATOM 1099 N ILE A 78 8.150 3.253 -3.026 1.00 0.15 N ATOM 1100 CA ILE A 78 7.057 3.906 -3.711 1.00 63.10 C ATOM 1101 C ILE A 78 6.987 5.352 -3.273 1.00 4.21 C ATOM 1102 O ILE A 78 7.145 5.667 -2.081 1.00 2.43 O ATOM 1103 CB ILE A 78 5.646 3.210 -3.569 1.00 11.41 C ATOM 1104 CG1 ILE A 78 5.088 3.179 -2.112 1.00 24.13 C ATOM 1105 CG2 ILE A 78 5.661 1.818 -4.177 1.00 31.15 C ATOM 1106 CD1 ILE A 78 5.861 2.335 -1.120 1.00 13.24 C ATOM 0 H ILE A 78 8.130 3.350 -2.011 1.00 0.15 H new ATOM 0 HA ILE A 78 7.286 3.827 -4.774 1.00 63.10 H new ATOM 0 HB ILE A 78 4.955 3.838 -4.131 1.00 11.41 H new ATOM 0 HG12 ILE A 78 5.051 4.202 -1.737 1.00 24.13 H new ATOM 0 HG13 ILE A 78 4.061 2.815 -2.146 1.00 24.13 H new ATOM 0 HG21 ILE A 78 4.677 1.362 -4.066 1.00 31.15 H new ATOM 0 HG22 ILE A 78 5.912 1.886 -5.236 1.00 31.15 H new ATOM 0 HG23 ILE A 78 6.405 1.206 -3.667 1.00 31.15 H new ATOM 0 HD11 ILE A 78 5.381 2.390 -0.143 1.00 13.24 H new ATOM 0 HD12 ILE A 78 5.877 1.299 -1.458 1.00 13.24 H new ATOM 0 HD13 ILE A 78 6.882 2.708 -1.043 1.00 13.24 H new ATOM 1118 N PHE A 79 6.794 6.217 -4.215 1.00 52.23 N ATOM 1119 CA PHE A 79 6.774 7.634 -3.965 1.00 11.23 C ATOM 1120 C PHE A 79 5.343 8.128 -3.965 1.00 74.44 C ATOM 1121 O PHE A 79 4.638 7.997 -4.976 1.00 74.04 O ATOM 1122 CB PHE A 79 7.545 8.372 -5.073 1.00 0.33 C ATOM 1123 CG PHE A 79 8.950 7.878 -5.306 1.00 72.23 C ATOM 1124 CD1 PHE A 79 10.015 8.424 -4.620 1.00 14.01 C ATOM 1125 CD2 PHE A 79 9.200 6.871 -6.229 1.00 31.11 C ATOM 1126 CE1 PHE A 79 11.299 7.977 -4.848 1.00 63.20 C ATOM 1127 CE2 PHE A 79 10.481 6.420 -6.458 1.00 74.31 C ATOM 1128 CZ PHE A 79 11.533 6.974 -5.767 1.00 24.04 C ATOM 0 H PHE A 79 6.644 5.964 -5.192 1.00 52.23 H new ATOM 0 HA PHE A 79 7.239 7.827 -2.998 1.00 11.23 H new ATOM 0 HB2 PHE A 79 6.986 8.285 -6.004 1.00 0.33 H new ATOM 0 HB3 PHE A 79 7.585 9.432 -4.823 1.00 0.33 H new ATOM 0 HD1 PHE A 79 9.841 9.208 -3.898 1.00 14.01 H new ATOM 0 HD2 PHE A 79 8.377 6.435 -6.776 1.00 31.11 H new ATOM 0 HE1 PHE A 79 12.125 8.413 -4.306 1.00 63.20 H new ATOM 0 HE2 PHE A 79 10.659 5.634 -7.177 1.00 74.31 H new ATOM 0 HZ PHE A 79 12.540 6.625 -5.943 1.00 24.04 H new ATOM 1138 N LEU A 80 4.892 8.648 -2.846 1.00 2.42 N ATOM 1139 CA LEU A 80 3.571 9.237 -2.769 1.00 41.14 C ATOM 1140 C LEU A 80 3.588 10.504 -3.559 1.00 21.12 C ATOM 1141 O LEU A 80 4.314 11.428 -3.208 1.00 23.43 O ATOM 1142 CB LEU A 80 3.134 9.603 -1.324 1.00 0.05 C ATOM 1143 CG LEU A 80 2.939 8.493 -0.286 1.00 70.41 C ATOM 1144 CD1 LEU A 80 4.252 7.890 0.145 1.00 40.04 C ATOM 1145 CD2 LEU A 80 2.169 9.017 0.914 1.00 34.14 C ATOM 0 H LEU A 80 5.420 8.676 -1.974 1.00 2.42 H new ATOM 0 HA LEU A 80 2.868 8.496 -3.150 1.00 41.14 H new ATOM 0 HB2 LEU A 80 3.875 10.295 -0.925 1.00 0.05 H new ATOM 0 HB3 LEU A 80 2.194 10.150 -1.397 1.00 0.05 H new ATOM 0 HG LEU A 80 2.358 7.701 -0.757 1.00 70.41 H new ATOM 0 HD11 LEU A 80 4.069 7.107 0.881 1.00 40.04 H new ATOM 0 HD12 LEU A 80 4.758 7.463 -0.721 1.00 40.04 H new ATOM 0 HD13 LEU A 80 4.880 8.664 0.587 1.00 40.04 H new ATOM 0 HD21 LEU A 80 2.039 8.216 1.641 1.00 34.14 H new ATOM 0 HD22 LEU A 80 2.723 9.837 1.372 1.00 34.14 H new ATOM 0 HD23 LEU A 80 1.192 9.375 0.591 1.00 34.14 H new ATOM 1157 N ASP A 81 2.827 10.581 -4.619 1.00 40.22 N ATOM 1158 CA ASP A 81 2.794 11.814 -5.364 1.00 43.32 C ATOM 1159 C ASP A 81 1.736 12.737 -4.810 1.00 14.51 C ATOM 1160 O ASP A 81 0.703 13.003 -5.419 1.00 54.31 O ATOM 1161 CB ASP A 81 2.682 11.633 -6.878 1.00 14.41 C ATOM 1162 CG ASP A 81 2.717 12.965 -7.612 1.00 4.10 C ATOM 1163 OD1 ASP A 81 3.562 13.831 -7.263 1.00 30.33 O ATOM 1164 OD2 ASP A 81 1.894 13.185 -8.520 1.00 73.11 O ATOM 0 H ASP A 81 2.238 9.830 -4.979 1.00 40.22 H new ATOM 0 HA ASP A 81 3.768 12.284 -5.226 1.00 43.32 H new ATOM 0 HB2 ASP A 81 3.499 11.003 -7.230 1.00 14.41 H new ATOM 0 HB3 ASP A 81 1.754 11.113 -7.114 1.00 14.41 H new ATOM 1169 N ASP A 82 1.948 13.072 -3.587 1.00 71.04 N ATOM 1170 CA ASP A 82 1.140 14.045 -2.873 1.00 12.32 C ATOM 1171 C ASP A 82 1.995 15.269 -2.629 1.00 12.51 C ATOM 1172 O ASP A 82 3.219 15.167 -2.611 1.00 41.21 O ATOM 1173 CB ASP A 82 0.615 13.483 -1.533 1.00 71.13 C ATOM 1174 CG ASP A 82 -0.287 14.465 -0.812 1.00 11.35 C ATOM 1175 OD1 ASP A 82 -1.456 14.605 -1.204 1.00 14.43 O ATOM 1176 OD2 ASP A 82 0.168 15.137 0.135 1.00 43.24 O ATOM 0 H ASP A 82 2.703 12.678 -3.025 1.00 71.04 H new ATOM 0 HA ASP A 82 0.266 14.296 -3.474 1.00 12.32 H new ATOM 0 HB2 ASP A 82 0.068 12.559 -1.719 1.00 71.13 H new ATOM 0 HB3 ASP A 82 1.459 13.230 -0.892 1.00 71.13 H new ATOM 1181 N VAL A 83 1.381 16.405 -2.450 1.00 44.22 N ATOM 1182 CA VAL A 83 2.111 17.633 -2.255 1.00 73.42 C ATOM 1183 C VAL A 83 2.735 17.716 -0.840 1.00 11.14 C ATOM 1184 O VAL A 83 3.764 18.360 -0.645 1.00 53.40 O ATOM 1185 CB VAL A 83 1.219 18.881 -2.559 1.00 74.45 C ATOM 1186 CG1 VAL A 83 0.037 18.998 -1.605 1.00 34.42 C ATOM 1187 CG2 VAL A 83 2.037 20.168 -2.596 1.00 1.25 C ATOM 0 H VAL A 83 0.366 16.509 -2.435 1.00 44.22 H new ATOM 0 HA VAL A 83 2.935 17.633 -2.969 1.00 73.42 H new ATOM 0 HB VAL A 83 0.805 18.728 -3.556 1.00 74.45 H new ATOM 0 HG11 VAL A 83 -0.550 19.881 -1.859 1.00 34.42 H new ATOM 0 HG12 VAL A 83 -0.589 18.109 -1.690 1.00 34.42 H new ATOM 0 HG13 VAL A 83 0.403 19.088 -0.582 1.00 34.42 H new ATOM 0 HG21 VAL A 83 1.380 21.011 -2.810 1.00 1.25 H new ATOM 0 HG22 VAL A 83 2.520 20.320 -1.631 1.00 1.25 H new ATOM 0 HG23 VAL A 83 2.797 20.094 -3.374 1.00 1.25 H new ATOM 1197 N THR A 84 2.159 17.027 0.126 1.00 45.45 N ATOM 1198 CA THR A 84 2.649 17.106 1.480 1.00 0.33 C ATOM 1199 C THR A 84 3.184 15.732 1.953 1.00 0.03 C ATOM 1200 O THR A 84 2.551 15.019 2.728 1.00 64.14 O ATOM 1201 CB THR A 84 1.541 17.644 2.424 1.00 54.30 C ATOM 1202 OG1 THR A 84 0.951 18.831 1.830 1.00 13.44 O ATOM 1203 CG2 THR A 84 2.106 18.017 3.785 1.00 24.50 C ATOM 0 H THR A 84 1.356 16.411 -0.004 1.00 45.45 H new ATOM 0 HA THR A 84 3.483 17.807 1.510 1.00 0.33 H new ATOM 0 HB THR A 84 0.796 16.859 2.558 1.00 54.30 H new ATOM 0 HG1 THR A 84 0.248 19.177 2.419 1.00 13.44 H new ATOM 0 HG21 THR A 84 1.304 18.390 4.422 1.00 24.50 H new ATOM 0 HG22 THR A 84 2.556 17.138 4.246 1.00 24.50 H new ATOM 0 HG23 THR A 84 2.864 18.791 3.665 1.00 24.50 H new ATOM 1211 N VAL A 85 4.321 15.346 1.417 1.00 13.25 N ATOM 1212 CA VAL A 85 4.932 14.063 1.746 1.00 42.12 C ATOM 1213 C VAL A 85 6.239 14.264 2.519 1.00 73.32 C ATOM 1214 O VAL A 85 7.027 15.182 2.207 1.00 61.34 O ATOM 1215 CB VAL A 85 5.193 13.211 0.466 1.00 41.42 C ATOM 1216 CG1 VAL A 85 5.763 11.843 0.807 1.00 64.14 C ATOM 1217 CG2 VAL A 85 3.920 13.041 -0.318 1.00 31.03 C ATOM 0 H VAL A 85 4.850 15.903 0.745 1.00 13.25 H new ATOM 0 HA VAL A 85 4.229 13.521 2.378 1.00 42.12 H new ATOM 0 HB VAL A 85 5.927 13.747 -0.136 1.00 41.42 H new ATOM 0 HG11 VAL A 85 5.931 11.280 -0.111 1.00 64.14 H new ATOM 0 HG12 VAL A 85 6.708 11.964 1.336 1.00 64.14 H new ATOM 0 HG13 VAL A 85 5.059 11.303 1.440 1.00 64.14 H new ATOM 0 HG21 VAL A 85 4.118 12.444 -1.208 1.00 31.03 H new ATOM 0 HG22 VAL A 85 3.177 12.536 0.299 1.00 31.03 H new ATOM 0 HG23 VAL A 85 3.541 14.019 -0.614 1.00 31.03 H new ATOM 1227 N SER A 86 6.454 13.433 3.516 1.00 13.41 N ATOM 1228 CA SER A 86 7.654 13.452 4.334 1.00 42.14 C ATOM 1229 C SER A 86 8.759 12.647 3.609 1.00 14.20 C ATOM 1230 O SER A 86 8.529 12.128 2.506 1.00 30.04 O ATOM 1231 CB SER A 86 7.310 12.813 5.705 1.00 62.04 C ATOM 1232 OG SER A 86 8.401 12.795 6.608 1.00 53.44 O ATOM 0 H SER A 86 5.788 12.710 3.788 1.00 13.41 H new ATOM 0 HA SER A 86 8.013 14.469 4.493 1.00 42.14 H new ATOM 0 HB2 SER A 86 6.484 13.362 6.156 1.00 62.04 H new ATOM 0 HB3 SER A 86 6.964 11.792 5.545 1.00 62.04 H new ATOM 0 HG SER A 86 8.540 11.882 6.935 1.00 53.44 H new ATOM 1238 N ARG A 87 9.943 12.557 4.196 1.00 11.02 N ATOM 1239 CA ARG A 87 10.993 11.740 3.613 1.00 3.02 C ATOM 1240 C ARG A 87 10.659 10.326 3.974 1.00 32.12 C ATOM 1241 O ARG A 87 10.528 9.454 3.113 1.00 24.32 O ATOM 1242 CB ARG A 87 12.378 12.104 4.151 1.00 34.43 C ATOM 1243 CG ARG A 87 12.726 13.571 4.031 1.00 63.35 C ATOM 1244 CD ARG A 87 14.152 13.823 4.459 1.00 34.23 C ATOM 1245 NE ARG A 87 14.505 15.243 4.393 1.00 45.21 N ATOM 1246 CZ ARG A 87 15.737 15.726 4.559 1.00 65.23 C ATOM 1247 NH1 ARG A 87 16.774 14.884 4.667 1.00 5.03 N ATOM 1248 NH2 ARG A 87 15.935 17.046 4.581 1.00 4.10 N ATOM 0 H ARG A 87 10.197 13.032 5.062 1.00 11.02 H new ATOM 0 HA ARG A 87 11.037 11.896 2.535 1.00 3.02 H new ATOM 0 HB2 ARG A 87 12.435 11.814 5.200 1.00 34.43 H new ATOM 0 HB3 ARG A 87 13.127 11.520 3.617 1.00 34.43 H new ATOM 0 HG2 ARG A 87 12.588 13.899 3.001 1.00 63.35 H new ATOM 0 HG3 ARG A 87 12.047 14.161 4.647 1.00 63.35 H new ATOM 0 HD2 ARG A 87 14.293 13.462 5.478 1.00 34.23 H new ATOM 0 HD3 ARG A 87 14.827 13.252 3.822 1.00 34.23 H new ATOM 0 HE ARG A 87 13.756 15.910 4.207 1.00 45.21 H new ATOM 0 HH11 ARG A 87 16.620 13.877 4.622 1.00 5.03 H new ATOM 0 HH12 ARG A 87 17.717 15.250 4.794 1.00 5.03 H new ATOM 0 HH21 ARG A 87 15.145 17.682 4.471 1.00 4.10 H new ATOM 0 HH22 ARG A 87 16.876 17.418 4.708 1.00 4.10 H new ATOM 1262 N ARG A 88 10.487 10.127 5.250 1.00 34.54 N ATOM 1263 CA ARG A 88 9.987 8.904 5.776 1.00 24.45 C ATOM 1264 C ARG A 88 8.544 9.180 6.191 1.00 44.15 C ATOM 1265 O ARG A 88 8.280 9.843 7.190 1.00 61.44 O ATOM 1266 CB ARG A 88 10.871 8.380 6.948 1.00 73.42 C ATOM 1267 CG ARG A 88 11.042 9.340 8.129 1.00 41.12 C ATOM 1268 CD ARG A 88 11.956 8.773 9.206 1.00 14.34 C ATOM 1269 NE ARG A 88 11.494 7.470 9.717 1.00 74.45 N ATOM 1270 CZ ARG A 88 11.548 7.073 10.996 1.00 22.13 C ATOM 1271 NH1 ARG A 88 11.921 7.909 11.950 1.00 73.44 N ATOM 1272 NH2 ARG A 88 11.207 5.831 11.315 1.00 42.42 N ATOM 0 H ARG A 88 10.696 10.828 5.961 1.00 34.54 H new ATOM 0 HA ARG A 88 10.017 8.105 5.035 1.00 24.45 H new ATOM 0 HB2 ARG A 88 10.438 7.451 7.318 1.00 73.42 H new ATOM 0 HB3 ARG A 88 11.858 8.137 6.554 1.00 73.42 H new ATOM 0 HG2 ARG A 88 11.450 10.285 7.770 1.00 41.12 H new ATOM 0 HG3 ARG A 88 10.066 9.558 8.562 1.00 41.12 H new ATOM 0 HD2 ARG A 88 12.962 8.664 8.802 1.00 14.34 H new ATOM 0 HD3 ARG A 88 12.019 9.481 10.032 1.00 14.34 H new ATOM 0 HE ARG A 88 11.100 6.816 9.041 1.00 74.45 H new ATOM 0 HH11 ARG A 88 12.172 8.870 11.717 1.00 73.44 H new ATOM 0 HH12 ARG A 88 11.958 7.593 12.919 1.00 73.44 H new ATOM 0 HH21 ARG A 88 10.905 5.182 10.588 1.00 42.42 H new ATOM 0 HH22 ARG A 88 11.247 5.525 12.287 1.00 42.42 H new ATOM 1286 N HIS A 89 7.624 8.780 5.362 1.00 10.52 N ATOM 1287 CA HIS A 89 6.233 9.084 5.597 1.00 20.55 C ATOM 1288 C HIS A 89 5.557 7.865 6.213 1.00 41.04 C ATOM 1289 O HIS A 89 5.071 7.907 7.340 1.00 53.13 O ATOM 1290 CB HIS A 89 5.587 9.503 4.260 1.00 35.51 C ATOM 1291 CG HIS A 89 4.242 10.169 4.356 1.00 31.55 C ATOM 1292 ND1 HIS A 89 4.115 11.546 4.236 1.00 20.02 N ATOM 1293 CD2 HIS A 89 3.012 9.621 4.471 1.00 0.34 C ATOM 1294 CE1 HIS A 89 2.813 11.784 4.272 1.00 74.40 C ATOM 1295 NE2 HIS A 89 2.114 10.658 4.415 1.00 1.24 N ATOM 0 H HIS A 89 7.807 8.242 4.515 1.00 10.52 H new ATOM 0 HA HIS A 89 6.119 9.912 6.297 1.00 20.55 H new ATOM 0 HB2 HIS A 89 6.269 10.180 3.746 1.00 35.51 H new ATOM 0 HB3 HIS A 89 5.487 8.616 3.634 1.00 35.51 H new ATOM 0 HD2 HIS A 89 2.781 8.572 4.585 1.00 0.34 H new ATOM 0 HE1 HIS A 89 2.373 12.767 4.195 1.00 74.40 H new ATOM 0 HE2 HIS A 89 1.099 10.581 4.472 1.00 1.24 H new ATOM 1303 N ALA A 90 5.593 6.773 5.502 1.00 51.32 N ATOM 1304 CA ALA A 90 5.014 5.541 5.975 1.00 22.32 C ATOM 1305 C ALA A 90 5.968 4.415 5.666 1.00 60.15 C ATOM 1306 O ALA A 90 6.768 4.517 4.732 1.00 30.54 O ATOM 1307 CB ALA A 90 3.657 5.295 5.320 1.00 4.30 C ATOM 0 H ALA A 90 6.023 6.709 4.579 1.00 51.32 H new ATOM 0 HA ALA A 90 4.851 5.600 7.051 1.00 22.32 H new ATOM 0 HB1 ALA A 90 3.238 4.360 5.691 1.00 4.30 H new ATOM 0 HB2 ALA A 90 2.982 6.116 5.561 1.00 4.30 H new ATOM 0 HB3 ALA A 90 3.781 5.233 4.239 1.00 4.30 H new ATOM 1313 N GLU A 91 5.929 3.371 6.438 1.00 11.42 N ATOM 1314 CA GLU A 91 6.802 2.260 6.202 1.00 42.44 C ATOM 1315 C GLU A 91 6.020 0.964 6.325 1.00 1.24 C ATOM 1316 O GLU A 91 5.317 0.739 7.313 1.00 62.14 O ATOM 1317 CB GLU A 91 7.955 2.297 7.199 1.00 31.14 C ATOM 1318 CG GLU A 91 9.050 1.283 6.940 1.00 70.52 C ATOM 1319 CD GLU A 91 10.124 1.348 7.984 1.00 53.24 C ATOM 1320 OE1 GLU A 91 11.025 2.217 7.891 1.00 11.10 O ATOM 1321 OE2 GLU A 91 10.086 0.553 8.932 1.00 10.13 O ATOM 0 H GLU A 91 5.303 3.265 7.236 1.00 11.42 H new ATOM 0 HA GLU A 91 7.214 2.320 5.195 1.00 42.44 H new ATOM 0 HB2 GLU A 91 8.393 3.295 7.190 1.00 31.14 H new ATOM 0 HB3 GLU A 91 7.557 2.133 8.200 1.00 31.14 H new ATOM 0 HG2 GLU A 91 8.621 0.281 6.921 1.00 70.52 H new ATOM 0 HG3 GLU A 91 9.486 1.462 5.957 1.00 70.52 H new ATOM 1328 N PHE A 92 6.128 0.138 5.332 1.00 65.54 N ATOM 1329 CA PHE A 92 5.462 -1.132 5.310 1.00 65.10 C ATOM 1330 C PHE A 92 6.482 -2.194 5.656 1.00 53.23 C ATOM 1331 O PHE A 92 7.478 -2.374 4.936 1.00 43.41 O ATOM 1332 CB PHE A 92 4.866 -1.430 3.920 1.00 41.22 C ATOM 1333 CG PHE A 92 3.892 -0.398 3.394 1.00 33.33 C ATOM 1334 CD1 PHE A 92 4.344 0.752 2.759 1.00 2.10 C ATOM 1335 CD2 PHE A 92 2.529 -0.582 3.534 1.00 74.11 C ATOM 1336 CE1 PHE A 92 3.452 1.691 2.279 1.00 43.13 C ATOM 1337 CE2 PHE A 92 1.635 0.355 3.055 1.00 53.05 C ATOM 1338 CZ PHE A 92 2.097 1.491 2.428 1.00 2.43 C ATOM 0 H PHE A 92 6.688 0.327 4.501 1.00 65.54 H new ATOM 0 HA PHE A 92 4.642 -1.121 6.027 1.00 65.10 H new ATOM 0 HB2 PHE A 92 5.684 -1.529 3.207 1.00 41.22 H new ATOM 0 HB3 PHE A 92 4.360 -2.395 3.960 1.00 41.22 H new ATOM 0 HD1 PHE A 92 5.405 0.914 2.639 1.00 2.10 H new ATOM 0 HD2 PHE A 92 2.159 -1.470 4.024 1.00 74.11 H new ATOM 0 HE1 PHE A 92 3.816 2.581 1.787 1.00 43.13 H new ATOM 0 HE2 PHE A 92 0.573 0.197 3.172 1.00 53.05 H new ATOM 0 HZ PHE A 92 1.398 2.224 2.054 1.00 2.43 H new ATOM 1348 N ARG A 93 6.274 -2.845 6.750 1.00 42.12 N ATOM 1349 CA ARG A 93 7.147 -3.895 7.193 1.00 70.33 C ATOM 1350 C ARG A 93 6.455 -5.218 7.031 1.00 71.25 C ATOM 1351 O ARG A 93 5.246 -5.332 7.266 1.00 74.13 O ATOM 1352 CB ARG A 93 7.506 -3.709 8.673 1.00 61.23 C ATOM 1353 CG ARG A 93 8.489 -2.594 8.992 1.00 70.45 C ATOM 1354 CD ARG A 93 9.912 -2.991 8.630 1.00 51.52 C ATOM 1355 NE ARG A 93 10.886 -1.954 9.010 1.00 70.04 N ATOM 1356 CZ ARG A 93 12.123 -2.171 9.494 1.00 55.13 C ATOM 1357 NH1 ARG A 93 12.501 -3.394 9.873 1.00 62.43 N ATOM 1358 NH2 ARG A 93 12.954 -1.148 9.657 1.00 63.42 N ATOM 0 H ARG A 93 5.487 -2.666 7.373 1.00 42.12 H new ATOM 0 HA ARG A 93 8.058 -3.864 6.595 1.00 70.33 H new ATOM 0 HB2 ARG A 93 6.586 -3.523 9.228 1.00 61.23 H new ATOM 0 HB3 ARG A 93 7.919 -4.646 9.045 1.00 61.23 H new ATOM 0 HG2 ARG A 93 8.210 -1.693 8.445 1.00 70.45 H new ATOM 0 HG3 ARG A 93 8.436 -2.352 10.053 1.00 70.45 H new ATOM 0 HD2 ARG A 93 10.165 -3.927 9.128 1.00 51.52 H new ATOM 0 HD3 ARG A 93 9.976 -3.173 7.557 1.00 51.52 H new ATOM 0 HE ARG A 93 10.597 -0.983 8.896 1.00 70.04 H new ATOM 0 HH11 ARG A 93 11.850 -4.175 9.797 1.00 62.43 H new ATOM 0 HH12 ARG A 93 13.441 -3.547 10.238 1.00 62.43 H new ATOM 0 HH21 ARG A 93 12.654 -0.204 9.416 1.00 63.42 H new ATOM 0 HH22 ARG A 93 13.893 -1.307 10.023 1.00 63.42 H new ATOM 1372 N ILE A 94 7.179 -6.198 6.605 1.00 74.11 N ATOM 1373 CA ILE A 94 6.654 -7.512 6.583 1.00 1.41 C ATOM 1374 C ILE A 94 7.481 -8.334 7.547 1.00 44.40 C ATOM 1375 O ILE A 94 8.700 -8.426 7.424 1.00 30.44 O ATOM 1376 CB ILE A 94 6.513 -8.137 5.121 1.00 2.54 C ATOM 1377 CG1 ILE A 94 7.840 -8.302 4.359 1.00 72.52 C ATOM 1378 CG2 ILE A 94 5.535 -7.327 4.276 1.00 40.42 C ATOM 1379 CD1 ILE A 94 8.577 -9.609 4.627 1.00 35.22 C ATOM 0 H ILE A 94 8.137 -6.109 6.268 1.00 74.11 H new ATOM 0 HA ILE A 94 5.615 -7.504 6.913 1.00 1.41 H new ATOM 0 HB ILE A 94 6.131 -9.144 5.286 1.00 2.54 H new ATOM 0 HG12 ILE A 94 7.640 -8.228 3.290 1.00 72.52 H new ATOM 0 HG13 ILE A 94 8.497 -7.472 4.619 1.00 72.52 H new ATOM 0 HG21 ILE A 94 5.456 -7.772 3.284 1.00 40.42 H new ATOM 0 HG22 ILE A 94 4.555 -7.327 4.753 1.00 40.42 H new ATOM 0 HG23 ILE A 94 5.894 -6.302 4.186 1.00 40.42 H new ATOM 0 HD11 ILE A 94 9.499 -9.633 4.046 1.00 35.22 H new ATOM 0 HD12 ILE A 94 8.815 -9.681 5.688 1.00 35.22 H new ATOM 0 HD13 ILE A 94 7.945 -10.449 4.339 1.00 35.22 H new ATOM 1391 N ASN A 95 6.846 -8.816 8.563 1.00 44.31 N ATOM 1392 CA ASN A 95 7.525 -9.518 9.601 1.00 73.34 C ATOM 1393 C ASN A 95 7.147 -10.972 9.479 1.00 44.14 C ATOM 1394 O ASN A 95 6.036 -11.292 9.059 1.00 11.24 O ATOM 1395 CB ASN A 95 7.119 -8.935 10.976 1.00 70.32 C ATOM 1396 CG ASN A 95 7.986 -9.358 12.158 1.00 24.32 C ATOM 1397 OD1 ASN A 95 8.596 -10.425 12.173 1.00 21.21 O ATOM 1398 ND2 ASN A 95 8.014 -8.534 13.171 1.00 60.21 N ATOM 0 H ASN A 95 5.838 -8.734 8.697 1.00 44.31 H new ATOM 0 HA ASN A 95 8.607 -9.414 9.514 1.00 73.34 H new ATOM 0 HB2 ASN A 95 7.136 -7.847 10.908 1.00 70.32 H new ATOM 0 HB3 ASN A 95 6.089 -9.225 11.183 1.00 70.32 H new ATOM 0 HD21 ASN A 95 8.553 -8.769 14.005 1.00 60.21 H new ATOM 0 HD22 ASN A 95 7.497 -7.656 13.128 1.00 60.21 H new ATOM 1405 N GLU A 96 8.074 -11.836 9.801 1.00 61.32 N ATOM 1406 CA GLU A 96 7.910 -13.287 9.737 1.00 53.15 C ATOM 1407 C GLU A 96 6.754 -13.767 10.639 1.00 74.41 C ATOM 1408 O GLU A 96 6.291 -14.905 10.525 1.00 11.34 O ATOM 1409 CB GLU A 96 9.231 -13.933 10.144 1.00 14.14 C ATOM 1410 CG GLU A 96 9.674 -13.566 11.553 1.00 42.45 C ATOM 1411 CD GLU A 96 11.121 -13.837 11.790 1.00 44.32 C ATOM 1412 OE1 GLU A 96 11.495 -14.989 12.088 1.00 4.33 O ATOM 1413 OE2 GLU A 96 11.912 -12.902 11.683 1.00 14.44 O ATOM 0 H GLU A 96 8.998 -11.552 10.127 1.00 61.32 H new ATOM 0 HA GLU A 96 7.650 -13.580 8.720 1.00 53.15 H new ATOM 0 HB2 GLU A 96 9.135 -15.016 10.072 1.00 14.14 H new ATOM 0 HB3 GLU A 96 10.006 -13.634 9.438 1.00 14.14 H new ATOM 0 HG2 GLU A 96 9.473 -12.509 11.729 1.00 42.45 H new ATOM 0 HG3 GLU A 96 9.080 -14.128 12.274 1.00 42.45 H new ATOM 1420 N GLY A 97 6.332 -12.909 11.553 1.00 23.20 N ATOM 1421 CA GLY A 97 5.212 -13.213 12.390 1.00 72.31 C ATOM 1422 C GLY A 97 3.903 -12.805 11.741 1.00 32.24 C ATOM 1423 O GLY A 97 2.962 -13.594 11.697 1.00 3.31 O ATOM 0 H GLY A 97 6.757 -11.998 11.725 1.00 23.20 H new ATOM 0 HA2 GLY A 97 5.196 -14.282 12.603 1.00 72.31 H new ATOM 0 HA3 GLY A 97 5.321 -12.699 13.345 1.00 72.31 H new ATOM 1427 N GLU A 98 3.868 -11.586 11.213 1.00 31.12 N ATOM 1428 CA GLU A 98 2.701 -11.001 10.564 1.00 41.24 C ATOM 1429 C GLU A 98 3.172 -9.680 9.974 1.00 21.11 C ATOM 1430 O GLU A 98 4.269 -9.250 10.283 1.00 22.43 O ATOM 1431 CB GLU A 98 1.546 -10.813 11.574 1.00 15.30 C ATOM 1432 CG GLU A 98 0.208 -10.413 10.970 1.00 11.24 C ATOM 1433 CD GLU A 98 -0.950 -10.664 11.909 1.00 31.52 C ATOM 1434 OE1 GLU A 98 -1.057 -10.009 12.950 1.00 53.14 O ATOM 1435 OE2 GLU A 98 -1.786 -11.546 11.605 1.00 34.04 O ATOM 0 H GLU A 98 4.674 -10.960 11.225 1.00 31.12 H new ATOM 0 HA GLU A 98 2.302 -11.648 9.783 1.00 41.24 H new ATOM 0 HB2 GLU A 98 1.413 -11.744 12.125 1.00 15.30 H new ATOM 0 HB3 GLU A 98 1.840 -10.053 12.298 1.00 15.30 H new ATOM 0 HG2 GLU A 98 0.234 -9.356 10.705 1.00 11.24 H new ATOM 0 HG3 GLU A 98 0.049 -10.969 10.046 1.00 11.24 H new ATOM 1442 N PHE A 99 2.399 -9.041 9.157 1.00 5.15 N ATOM 1443 CA PHE A 99 2.894 -7.861 8.471 1.00 73.42 C ATOM 1444 C PHE A 99 2.312 -6.592 9.100 1.00 22.00 C ATOM 1445 O PHE A 99 1.095 -6.505 9.303 1.00 42.10 O ATOM 1446 CB PHE A 99 2.515 -7.931 6.997 1.00 45.21 C ATOM 1447 CG PHE A 99 2.752 -9.268 6.322 1.00 42.31 C ATOM 1448 CD1 PHE A 99 3.973 -9.917 6.414 1.00 62.31 C ATOM 1449 CD2 PHE A 99 1.733 -9.871 5.600 1.00 51.11 C ATOM 1450 CE1 PHE A 99 4.176 -11.136 5.798 1.00 23.41 C ATOM 1451 CE2 PHE A 99 1.929 -11.090 4.980 1.00 11.01 C ATOM 1452 CZ PHE A 99 3.151 -11.723 5.078 1.00 0.41 C ATOM 0 H PHE A 99 1.436 -9.299 8.941 1.00 5.15 H new ATOM 0 HA PHE A 99 3.979 -7.827 8.565 1.00 73.42 H new ATOM 0 HB2 PHE A 99 1.460 -7.677 6.899 1.00 45.21 H new ATOM 0 HB3 PHE A 99 3.078 -7.168 6.459 1.00 45.21 H new ATOM 0 HD1 PHE A 99 4.777 -9.463 6.975 1.00 62.31 H new ATOM 0 HD2 PHE A 99 0.774 -9.381 5.521 1.00 51.11 H new ATOM 0 HE1 PHE A 99 5.133 -11.630 5.878 1.00 23.41 H new ATOM 0 HE2 PHE A 99 1.127 -11.547 4.419 1.00 11.01 H new ATOM 0 HZ PHE A 99 3.307 -12.675 4.593 1.00 0.41 H new ATOM 1462 N GLU A 100 3.153 -5.614 9.390 1.00 10.31 N ATOM 1463 CA GLU A 100 2.691 -4.390 10.007 1.00 12.32 C ATOM 1464 C GLU A 100 3.217 -3.123 9.310 1.00 3.22 C ATOM 1465 O GLU A 100 4.366 -3.030 8.887 1.00 24.32 O ATOM 1466 CB GLU A 100 2.922 -4.319 11.527 1.00 52.12 C ATOM 1467 CG GLU A 100 4.354 -4.119 11.961 1.00 13.34 C ATOM 1468 CD GLU A 100 5.217 -5.364 11.867 1.00 43.00 C ATOM 1469 OE1 GLU A 100 5.842 -5.604 10.824 1.00 34.44 O ATOM 1470 OE2 GLU A 100 5.317 -6.099 12.876 1.00 60.41 O ATOM 0 H GLU A 100 4.156 -5.647 9.207 1.00 10.31 H new ATOM 0 HA GLU A 100 1.611 -4.421 9.863 1.00 12.32 H new ATOM 0 HB2 GLU A 100 2.322 -3.503 11.930 1.00 52.12 H new ATOM 0 HB3 GLU A 100 2.550 -5.240 11.976 1.00 52.12 H new ATOM 0 HG2 GLU A 100 4.800 -3.335 11.349 1.00 13.34 H new ATOM 0 HG3 GLU A 100 4.362 -3.763 12.991 1.00 13.34 H new ATOM 1477 N VAL A 101 2.349 -2.187 9.171 1.00 53.03 N ATOM 1478 CA VAL A 101 2.620 -0.912 8.552 1.00 54.32 C ATOM 1479 C VAL A 101 2.776 0.098 9.671 1.00 32.34 C ATOM 1480 O VAL A 101 1.943 0.165 10.566 1.00 31.44 O ATOM 1481 CB VAL A 101 1.441 -0.457 7.650 1.00 42.41 C ATOM 1482 CG1 VAL A 101 1.763 0.844 6.919 1.00 60.23 C ATOM 1483 CG2 VAL A 101 1.046 -1.542 6.670 1.00 52.13 C ATOM 0 H VAL A 101 1.386 -2.279 9.494 1.00 53.03 H new ATOM 0 HA VAL A 101 3.513 -0.992 7.932 1.00 54.32 H new ATOM 0 HB VAL A 101 0.590 -0.268 8.304 1.00 42.41 H new ATOM 0 HG11 VAL A 101 0.915 1.132 6.297 1.00 60.23 H new ATOM 0 HG12 VAL A 101 1.963 1.630 7.647 1.00 60.23 H new ATOM 0 HG13 VAL A 101 2.642 0.700 6.290 1.00 60.23 H new ATOM 0 HG21 VAL A 101 0.218 -1.192 6.054 1.00 52.13 H new ATOM 0 HG22 VAL A 101 1.896 -1.784 6.032 1.00 52.13 H new ATOM 0 HG23 VAL A 101 0.739 -2.433 7.218 1.00 52.13 H new ATOM 1493 N VAL A 102 3.823 0.854 9.646 1.00 15.24 N ATOM 1494 CA VAL A 102 4.072 1.803 10.692 1.00 24.22 C ATOM 1495 C VAL A 102 4.099 3.216 10.127 1.00 72.24 C ATOM 1496 O VAL A 102 4.671 3.453 9.046 1.00 63.44 O ATOM 1497 CB VAL A 102 5.431 1.504 11.418 1.00 34.32 C ATOM 1498 CG1 VAL A 102 5.670 2.462 12.582 1.00 24.23 C ATOM 1499 CG2 VAL A 102 5.493 0.058 11.906 1.00 54.14 C ATOM 0 H VAL A 102 4.528 0.836 8.909 1.00 15.24 H new ATOM 0 HA VAL A 102 3.264 1.716 11.418 1.00 24.22 H new ATOM 0 HB VAL A 102 6.223 1.656 10.684 1.00 34.32 H new ATOM 0 HG11 VAL A 102 6.620 2.224 13.060 1.00 24.23 H new ATOM 0 HG12 VAL A 102 5.697 3.486 12.210 1.00 24.23 H new ATOM 0 HG13 VAL A 102 4.863 2.361 13.308 1.00 24.23 H new ATOM 0 HG21 VAL A 102 6.446 -0.117 12.404 1.00 54.14 H new ATOM 0 HG22 VAL A 102 4.678 -0.125 12.607 1.00 54.14 H new ATOM 0 HG23 VAL A 102 5.399 -0.617 11.056 1.00 54.14 H new ATOM 1509 N ASP A 103 3.454 4.131 10.819 1.00 11.30 N ATOM 1510 CA ASP A 103 3.568 5.528 10.503 1.00 4.33 C ATOM 1511 C ASP A 103 4.826 6.013 11.160 1.00 73.01 C ATOM 1512 O ASP A 103 4.934 6.063 12.390 1.00 0.12 O ATOM 1513 CB ASP A 103 2.357 6.323 11.008 1.00 35.52 C ATOM 1514 CG ASP A 103 2.566 7.836 10.962 1.00 43.45 C ATOM 1515 OD1 ASP A 103 3.367 8.330 10.147 1.00 52.32 O ATOM 1516 OD2 ASP A 103 1.907 8.557 11.744 1.00 34.24 O ATOM 0 H ASP A 103 2.842 3.924 11.609 1.00 11.30 H new ATOM 0 HA ASP A 103 3.601 5.671 9.423 1.00 4.33 H new ATOM 0 HB2 ASP A 103 1.485 6.065 10.407 1.00 35.52 H new ATOM 0 HB3 ASP A 103 2.137 6.025 12.033 1.00 35.52 H new ATOM 1521 N VAL A 104 5.784 6.317 10.346 1.00 11.41 N ATOM 1522 CA VAL A 104 7.094 6.673 10.810 1.00 71.44 C ATOM 1523 C VAL A 104 7.299 8.172 10.797 1.00 75.23 C ATOM 1524 O VAL A 104 8.399 8.656 11.050 1.00 5.22 O ATOM 1525 CB VAL A 104 8.193 5.963 9.981 1.00 64.22 C ATOM 1526 CG1 VAL A 104 8.119 4.459 10.193 1.00 63.34 C ATOM 1527 CG2 VAL A 104 8.057 6.290 8.496 1.00 35.44 C ATOM 0 H VAL A 104 5.683 6.327 9.331 1.00 11.41 H new ATOM 0 HA VAL A 104 7.175 6.334 11.843 1.00 71.44 H new ATOM 0 HB VAL A 104 9.163 6.325 10.322 1.00 64.22 H new ATOM 0 HG11 VAL A 104 8.896 3.970 9.605 1.00 63.34 H new ATOM 0 HG12 VAL A 104 8.266 4.233 11.249 1.00 63.34 H new ATOM 0 HG13 VAL A 104 7.142 4.095 9.877 1.00 63.34 H new ATOM 0 HG21 VAL A 104 8.841 5.779 7.938 1.00 35.44 H new ATOM 0 HG22 VAL A 104 7.082 5.959 8.138 1.00 35.44 H new ATOM 0 HG23 VAL A 104 8.151 7.366 8.350 1.00 35.44 H new ATOM 1537 N GLY A 105 6.251 8.897 10.519 1.00 73.21 N ATOM 1538 CA GLY A 105 6.354 10.318 10.513 1.00 54.40 C ATOM 1539 C GLY A 105 5.696 10.922 9.319 1.00 11.23 C ATOM 1540 O GLY A 105 6.318 11.707 8.590 1.00 50.22 O ATOM 0 H GLY A 105 5.327 8.526 10.297 1.00 73.21 H new ATOM 0 HA2 GLY A 105 5.898 10.718 11.419 1.00 54.40 H new ATOM 0 HA3 GLY A 105 7.405 10.605 10.531 1.00 54.40 H new ATOM 1544 N SER A 106 4.454 10.557 9.096 1.00 51.43 N ATOM 1545 CA SER A 106 3.669 11.110 8.026 1.00 61.21 C ATOM 1546 C SER A 106 3.562 12.619 8.196 1.00 14.52 C ATOM 1547 O SER A 106 3.209 13.109 9.291 1.00 50.44 O ATOM 1548 CB SER A 106 2.279 10.494 8.037 1.00 32.13 C ATOM 1549 OG SER A 106 2.336 9.094 7.897 1.00 33.43 O ATOM 0 H SER A 106 3.961 9.863 9.658 1.00 51.43 H new ATOM 0 HA SER A 106 4.152 10.888 7.075 1.00 61.21 H new ATOM 0 HB2 SER A 106 1.774 10.748 8.969 1.00 32.13 H new ATOM 0 HB3 SER A 106 1.685 10.918 7.227 1.00 32.13 H new ATOM 0 HG SER A 106 2.819 8.709 8.658 1.00 33.43 H new ATOM 1555 N LEU A 107 3.886 13.351 7.143 1.00 21.21 N ATOM 1556 CA LEU A 107 3.851 14.798 7.197 1.00 65.32 C ATOM 1557 C LEU A 107 2.403 15.244 7.407 1.00 21.22 C ATOM 1558 O LEU A 107 2.108 15.997 8.317 1.00 43.51 O ATOM 1559 CB LEU A 107 4.431 15.396 5.904 1.00 34.53 C ATOM 1560 CG LEU A 107 5.256 16.701 6.047 1.00 14.01 C ATOM 1561 CD1 LEU A 107 5.759 17.171 4.694 1.00 54.10 C ATOM 1562 CD2 LEU A 107 4.471 17.807 6.733 1.00 24.43 C ATOM 0 H LEU A 107 4.175 12.966 6.244 1.00 21.21 H new ATOM 0 HA LEU A 107 4.462 15.155 8.026 1.00 65.32 H new ATOM 0 HB2 LEU A 107 5.065 14.643 5.436 1.00 34.53 H new ATOM 0 HB3 LEU A 107 3.606 15.589 5.219 1.00 34.53 H new ATOM 0 HG LEU A 107 6.111 16.468 6.681 1.00 14.01 H new ATOM 0 HD11 LEU A 107 6.335 18.088 4.818 1.00 54.10 H new ATOM 0 HD12 LEU A 107 6.393 16.401 4.254 1.00 54.10 H new ATOM 0 HD13 LEU A 107 4.911 17.362 4.037 1.00 54.10 H new ATOM 0 HD21 LEU A 107 5.091 18.700 6.810 1.00 24.43 H new ATOM 0 HD22 LEU A 107 3.578 18.034 6.151 1.00 24.43 H new ATOM 0 HD23 LEU A 107 4.180 17.481 7.731 1.00 24.43 H new ATOM 1574 N ASN A 108 1.514 14.741 6.587 1.00 63.52 N ATOM 1575 CA ASN A 108 0.100 15.049 6.735 1.00 14.55 C ATOM 1576 C ASN A 108 -0.624 14.034 7.613 1.00 30.54 C ATOM 1577 O ASN A 108 -1.402 14.423 8.485 1.00 53.30 O ATOM 1578 CB ASN A 108 -0.622 15.296 5.388 1.00 4.01 C ATOM 1579 CG ASN A 108 -0.269 14.308 4.299 1.00 23.12 C ATOM 1580 OD1 ASN A 108 0.104 13.169 4.565 1.00 22.23 O ATOM 1581 ND2 ASN A 108 -0.394 14.737 3.066 1.00 20.41 N ATOM 0 H ASN A 108 1.736 14.118 5.811 1.00 63.52 H new ATOM 0 HA ASN A 108 0.059 16.003 7.261 1.00 14.55 H new ATOM 0 HB2 ASN A 108 -1.699 15.264 5.556 1.00 4.01 H new ATOM 0 HB3 ASN A 108 -0.383 16.301 5.041 1.00 4.01 H new ATOM 0 HD21 ASN A 108 -0.178 14.116 2.286 1.00 20.41 H new ATOM 0 HD22 ASN A 108 -0.707 15.691 2.887 1.00 20.41 H new ATOM 1588 N GLY A 109 -0.390 12.750 7.397 1.00 14.24 N ATOM 1589 CA GLY A 109 -0.965 11.758 8.289 1.00 12.20 C ATOM 1590 C GLY A 109 -1.399 10.481 7.596 1.00 21.51 C ATOM 1591 O GLY A 109 -1.929 10.518 6.499 1.00 32.45 O ATOM 0 H GLY A 109 0.177 12.378 6.635 1.00 14.24 H new ATOM 0 HA2 GLY A 109 -0.235 11.511 9.059 1.00 12.20 H new ATOM 0 HA3 GLY A 109 -1.826 12.195 8.795 1.00 12.20 H new ATOM 1595 N THR A 110 -1.145 9.366 8.232 1.00 44.10 N ATOM 1596 CA THR A 110 -1.595 8.080 7.750 1.00 24.21 C ATOM 1597 C THR A 110 -2.776 7.611 8.612 1.00 5.05 C ATOM 1598 O THR A 110 -2.664 7.474 9.845 1.00 0.22 O ATOM 1599 CB THR A 110 -0.439 7.030 7.718 1.00 24.24 C ATOM 1600 OG1 THR A 110 0.553 7.467 6.773 1.00 42.41 O ATOM 1601 CG2 THR A 110 -0.952 5.658 7.283 1.00 14.11 C ATOM 0 H THR A 110 -0.617 9.322 9.104 1.00 44.10 H new ATOM 0 HA THR A 110 -1.928 8.184 6.717 1.00 24.21 H new ATOM 0 HB THR A 110 -0.019 6.945 8.720 1.00 24.24 H new ATOM 0 HG1 THR A 110 1.290 7.902 7.250 1.00 42.41 H new ATOM 0 HG21 THR A 110 -0.125 4.948 7.270 1.00 14.11 H new ATOM 0 HG22 THR A 110 -1.714 5.315 7.983 1.00 14.11 H new ATOM 0 HG23 THR A 110 -1.384 5.731 6.285 1.00 14.11 H new ATOM 1609 N TYR A 111 -3.904 7.407 7.969 1.00 45.55 N ATOM 1610 CA TYR A 111 -5.136 7.076 8.648 1.00 21.34 C ATOM 1611 C TYR A 111 -5.660 5.768 8.136 1.00 62.30 C ATOM 1612 O TYR A 111 -5.649 5.526 6.963 1.00 52.01 O ATOM 1613 CB TYR A 111 -6.200 8.153 8.383 1.00 42.45 C ATOM 1614 CG TYR A 111 -5.780 9.556 8.740 1.00 73.11 C ATOM 1615 CD1 TYR A 111 -5.948 10.047 10.021 1.00 53.25 C ATOM 1616 CD2 TYR A 111 -5.217 10.393 7.785 1.00 73.05 C ATOM 1617 CE1 TYR A 111 -5.567 11.329 10.346 1.00 1.40 C ATOM 1618 CE2 TYR A 111 -4.834 11.673 8.102 1.00 1.20 C ATOM 1619 CZ TYR A 111 -5.011 12.136 9.380 1.00 64.52 C ATOM 1620 OH TYR A 111 -4.626 13.413 9.697 1.00 34.44 O ATOM 0 H TYR A 111 -3.992 7.467 6.955 1.00 45.55 H new ATOM 0 HA TYR A 111 -4.930 7.014 9.717 1.00 21.34 H new ATOM 0 HB2 TYR A 111 -6.469 8.127 7.327 1.00 42.45 H new ATOM 0 HB3 TYR A 111 -7.099 7.903 8.947 1.00 42.45 H new ATOM 0 HD1 TYR A 111 -6.385 9.414 10.779 1.00 53.25 H new ATOM 0 HD2 TYR A 111 -5.078 10.031 6.777 1.00 73.05 H new ATOM 0 HE1 TYR A 111 -5.703 11.699 11.352 1.00 1.40 H new ATOM 0 HE2 TYR A 111 -4.396 12.311 7.349 1.00 1.20 H new ATOM 0 HH TYR A 111 -4.252 13.848 8.903 1.00 34.44 H new ATOM 1630 N VAL A 112 -6.127 4.950 9.001 1.00 4.11 N ATOM 1631 CA VAL A 112 -6.709 3.698 8.614 1.00 51.03 C ATOM 1632 C VAL A 112 -8.197 3.894 8.619 1.00 5.15 C ATOM 1633 O VAL A 112 -8.779 4.226 9.666 1.00 33.22 O ATOM 1634 CB VAL A 112 -6.294 2.578 9.577 1.00 51.13 C ATOM 1635 CG1 VAL A 112 -6.904 1.240 9.168 1.00 20.25 C ATOM 1636 CG2 VAL A 112 -4.783 2.487 9.605 1.00 51.42 C ATOM 0 H VAL A 112 -6.122 5.120 10.007 1.00 4.11 H new ATOM 0 HA VAL A 112 -6.363 3.397 7.625 1.00 51.03 H new ATOM 0 HB VAL A 112 -6.667 2.813 10.574 1.00 51.13 H new ATOM 0 HG11 VAL A 112 -6.591 0.467 9.870 1.00 20.25 H new ATOM 0 HG12 VAL A 112 -7.991 1.318 9.176 1.00 20.25 H new ATOM 0 HG13 VAL A 112 -6.566 0.977 8.165 1.00 20.25 H new ATOM 0 HG21 VAL A 112 -4.479 1.693 10.287 1.00 51.42 H new ATOM 0 HG22 VAL A 112 -4.413 2.266 8.604 1.00 51.42 H new ATOM 0 HG23 VAL A 112 -4.368 3.436 9.944 1.00 51.42 H new ATOM 1646 N ASN A 113 -8.788 3.749 7.446 1.00 62.32 N ATOM 1647 CA ASN A 113 -10.191 4.045 7.164 1.00 52.02 C ATOM 1648 C ASN A 113 -10.405 5.563 7.248 1.00 42.44 C ATOM 1649 O ASN A 113 -10.587 6.230 6.223 1.00 13.43 O ATOM 1650 CB ASN A 113 -11.159 3.273 8.081 1.00 21.05 C ATOM 1651 CG ASN A 113 -12.579 3.316 7.570 1.00 61.03 C ATOM 1652 OD1 ASN A 113 -13.343 4.229 7.882 1.00 73.03 O ATOM 1653 ND2 ASN A 113 -12.944 2.316 6.797 1.00 43.51 N ATOM 0 H ASN A 113 -8.286 3.408 6.626 1.00 62.32 H new ATOM 0 HA ASN A 113 -10.421 3.704 6.155 1.00 52.02 H new ATOM 0 HB2 ASN A 113 -10.834 2.236 8.160 1.00 21.05 H new ATOM 0 HB3 ASN A 113 -11.122 3.696 9.085 1.00 21.05 H new ATOM 0 HD21 ASN A 113 -13.895 2.276 6.430 1.00 43.51 H new ATOM 0 HD22 ASN A 113 -12.276 1.581 6.565 1.00 43.51 H new ATOM 1660 N ARG A 114 -10.355 6.099 8.453 1.00 64.15 N ATOM 1661 CA ARG A 114 -10.376 7.533 8.671 1.00 34.15 C ATOM 1662 C ARG A 114 -9.756 7.863 10.056 1.00 2.22 C ATOM 1663 O ARG A 114 -9.737 9.017 10.492 1.00 72.45 O ATOM 1664 CB ARG A 114 -11.811 8.077 8.585 1.00 23.31 C ATOM 1665 CG ARG A 114 -11.870 9.582 8.404 1.00 15.21 C ATOM 1666 CD ARG A 114 -13.284 10.112 8.435 1.00 52.11 C ATOM 1667 NE ARG A 114 -13.904 9.971 9.754 1.00 33.23 N ATOM 1668 CZ ARG A 114 -13.942 10.950 10.676 1.00 0.55 C ATOM 1669 NH1 ARG A 114 -13.276 12.091 10.474 1.00 30.11 N ATOM 1670 NH2 ARG A 114 -14.607 10.774 11.809 1.00 64.21 N ATOM 0 H ARG A 114 -10.298 5.550 9.311 1.00 64.15 H new ATOM 0 HA ARG A 114 -9.785 8.013 7.891 1.00 34.15 H new ATOM 0 HB2 ARG A 114 -12.325 7.597 7.752 1.00 23.31 H new ATOM 0 HB3 ARG A 114 -12.351 7.805 9.492 1.00 23.31 H new ATOM 0 HG2 ARG A 114 -11.288 10.063 9.190 1.00 15.21 H new ATOM 0 HG3 ARG A 114 -11.406 9.849 7.455 1.00 15.21 H new ATOM 0 HD2 ARG A 114 -13.281 11.164 8.148 1.00 52.11 H new ATOM 0 HD3 ARG A 114 -13.884 9.582 7.696 1.00 52.11 H new ATOM 0 HE ARG A 114 -14.333 9.076 9.988 1.00 33.23 H new ATOM 0 HH11 ARG A 114 -12.736 12.222 9.618 1.00 30.11 H new ATOM 0 HH12 ARG A 114 -13.307 12.831 11.175 1.00 30.11 H new ATOM 0 HH21 ARG A 114 -15.092 9.894 11.984 1.00 64.21 H new ATOM 0 HH22 ARG A 114 -14.634 11.519 12.506 1.00 64.21 H new ATOM 1684 N GLU A 115 -9.204 6.855 10.719 1.00 4.32 N ATOM 1685 CA GLU A 115 -8.696 7.007 12.068 1.00 73.40 C ATOM 1686 C GLU A 115 -7.193 6.810 12.082 1.00 73.44 C ATOM 1687 O GLU A 115 -6.693 5.851 11.500 1.00 60.11 O ATOM 1688 CB GLU A 115 -9.378 5.992 12.982 1.00 61.52 C ATOM 1689 CG GLU A 115 -10.876 6.192 13.051 1.00 71.41 C ATOM 1690 CD GLU A 115 -11.600 5.123 13.816 1.00 35.53 C ATOM 1691 OE1 GLU A 115 -11.577 5.146 15.060 1.00 2.43 O ATOM 1692 OE2 GLU A 115 -12.260 4.273 13.181 1.00 24.33 O ATOM 0 H GLU A 115 -9.098 5.916 10.336 1.00 4.32 H new ATOM 0 HA GLU A 115 -8.913 8.012 12.429 1.00 73.40 H new ATOM 0 HB2 GLU A 115 -9.165 4.985 12.624 1.00 61.52 H new ATOM 0 HB3 GLU A 115 -8.957 6.070 13.985 1.00 61.52 H new ATOM 0 HG2 GLU A 115 -11.082 7.158 13.512 1.00 71.41 H new ATOM 0 HG3 GLU A 115 -11.274 6.232 12.037 1.00 71.41 H new ATOM 1699 N PRO A 116 -6.449 7.707 12.718 1.00 62.22 N ATOM 1700 CA PRO A 116 -5.000 7.613 12.772 1.00 34.14 C ATOM 1701 C PRO A 116 -4.528 6.435 13.624 1.00 51.51 C ATOM 1702 O PRO A 116 -5.011 6.210 14.742 1.00 3.14 O ATOM 1703 CB PRO A 116 -4.563 8.943 13.393 1.00 4.22 C ATOM 1704 CG PRO A 116 -5.745 9.413 14.167 1.00 20.22 C ATOM 1705 CD PRO A 116 -6.958 8.884 13.459 1.00 42.42 C ATOM 0 HA PRO A 116 -4.570 7.440 11.785 1.00 34.14 H new ATOM 0 HB2 PRO A 116 -3.695 8.811 14.039 1.00 4.22 H new ATOM 0 HB3 PRO A 116 -4.282 9.664 12.625 1.00 4.22 H new ATOM 0 HG2 PRO A 116 -5.706 9.049 15.194 1.00 20.22 H new ATOM 0 HG3 PRO A 116 -5.769 10.502 14.216 1.00 20.22 H new ATOM 0 HD2 PRO A 116 -7.742 8.605 14.163 1.00 42.42 H new ATOM 0 HD3 PRO A 116 -7.384 9.627 12.785 1.00 42.42 H new ATOM 1713 N ARG A 117 -3.625 5.675 13.081 1.00 63.41 N ATOM 1714 CA ARG A 117 -3.030 4.573 13.787 1.00 21.41 C ATOM 1715 C ARG A 117 -1.551 4.817 13.802 1.00 55.33 C ATOM 1716 O ARG A 117 -1.014 5.374 12.844 1.00 54.31 O ATOM 1717 CB ARG A 117 -3.305 3.218 13.101 1.00 40.12 C ATOM 1718 CG ARG A 117 -4.767 2.768 13.015 1.00 0.02 C ATOM 1719 CD ARG A 117 -5.414 2.575 14.371 1.00 2.02 C ATOM 1720 NE ARG A 117 -6.716 1.882 14.262 1.00 11.02 N ATOM 1721 CZ ARG A 117 -7.595 1.722 15.263 1.00 45.30 C ATOM 1722 NH1 ARG A 117 -7.399 2.320 16.436 1.00 41.22 N ATOM 1723 NH2 ARG A 117 -8.685 0.985 15.071 1.00 65.41 N ATOM 0 H ARG A 117 -3.276 5.800 12.131 1.00 63.41 H new ATOM 0 HA ARG A 117 -3.457 4.517 14.788 1.00 21.41 H new ATOM 0 HB2 ARG A 117 -2.904 3.263 12.088 1.00 40.12 H new ATOM 0 HB3 ARG A 117 -2.744 2.449 13.632 1.00 40.12 H new ATOM 0 HG2 ARG A 117 -5.335 3.508 12.451 1.00 0.02 H new ATOM 0 HG3 ARG A 117 -4.820 1.833 12.458 1.00 0.02 H new ATOM 0 HD2 ARG A 117 -4.748 1.999 15.013 1.00 2.02 H new ATOM 0 HD3 ARG A 117 -5.557 3.545 14.848 1.00 2.02 H new ATOM 0 HE ARG A 117 -6.966 1.494 13.352 1.00 11.02 H new ATOM 0 HH11 ARG A 117 -6.576 2.905 16.579 1.00 41.22 H new ATOM 0 HH12 ARG A 117 -8.072 2.193 17.192 1.00 41.22 H new ATOM 0 HH21 ARG A 117 -8.850 0.544 14.166 1.00 65.41 H new ATOM 0 HH22 ARG A 117 -9.356 0.860 15.829 1.00 65.41 H new ATOM 1737 N ASN A 118 -0.908 4.438 14.862 1.00 61.11 N ATOM 1738 CA ASN A 118 0.530 4.589 14.974 1.00 53.22 C ATOM 1739 C ASN A 118 1.183 3.466 14.184 1.00 31.21 C ATOM 1740 O ASN A 118 2.091 3.680 13.370 1.00 12.43 O ATOM 1741 CB ASN A 118 0.931 4.516 16.445 1.00 32.13 C ATOM 1742 CG ASN A 118 2.419 4.660 16.699 1.00 75.12 C ATOM 1743 OD1 ASN A 118 2.930 4.076 17.641 1.00 23.10 O ATOM 1744 ND2 ASN A 118 3.100 5.462 15.928 1.00 0.44 N ATOM 0 H ASN A 118 -1.352 4.016 15.677 1.00 61.11 H new ATOM 0 HA ASN A 118 0.854 5.551 14.578 1.00 53.22 H new ATOM 0 HB2 ASN A 118 0.405 5.299 16.991 1.00 32.13 H new ATOM 0 HB3 ASN A 118 0.596 3.562 16.853 1.00 32.13 H new ATOM 0 HD21 ASN A 118 4.093 5.618 16.104 1.00 0.44 H new ATOM 0 HD22 ASN A 118 2.640 5.934 15.149 1.00 0.44 H new ATOM 1751 N ALA A 119 0.678 2.287 14.401 1.00 24.40 N ATOM 1752 CA ALA A 119 1.088 1.128 13.688 1.00 13.42 C ATOM 1753 C ALA A 119 -0.159 0.352 13.377 1.00 23.02 C ATOM 1754 O ALA A 119 -1.105 0.351 14.170 1.00 33.42 O ATOM 1755 CB ALA A 119 2.068 0.301 14.502 1.00 34.54 C ATOM 0 H ALA A 119 -0.047 2.108 15.096 1.00 24.40 H new ATOM 0 HA ALA A 119 1.611 1.399 12.771 1.00 13.42 H new ATOM 0 HB1 ALA A 119 2.364 -0.579 13.931 1.00 34.54 H new ATOM 0 HB2 ALA A 119 2.950 0.900 14.728 1.00 34.54 H new ATOM 0 HB3 ALA A 119 1.594 -0.013 15.432 1.00 34.54 H new ATOM 1761 N GLN A 120 -0.190 -0.247 12.241 1.00 43.34 N ATOM 1762 CA GLN A 120 -1.336 -0.955 11.781 1.00 12.10 C ATOM 1763 C GLN A 120 -0.874 -2.318 11.339 1.00 24.12 C ATOM 1764 O GLN A 120 0.200 -2.451 10.791 1.00 30.24 O ATOM 1765 CB GLN A 120 -1.965 -0.150 10.617 1.00 10.44 C ATOM 1766 CG GLN A 120 -3.349 -0.594 10.134 1.00 75.04 C ATOM 1767 CD GLN A 120 -3.376 -1.845 9.298 1.00 62.12 C ATOM 1768 OE1 GLN A 120 -2.436 -2.155 8.572 1.00 22.21 O ATOM 1769 NE2 GLN A 120 -4.456 -2.554 9.381 1.00 31.32 N ATOM 0 H GLN A 120 0.595 -0.261 11.590 1.00 43.34 H new ATOM 0 HA GLN A 120 -2.093 -1.075 12.556 1.00 12.10 H new ATOM 0 HB2 GLN A 120 -2.032 0.894 10.924 1.00 10.44 H new ATOM 0 HB3 GLN A 120 -1.281 -0.190 9.769 1.00 10.44 H new ATOM 0 HG2 GLN A 120 -3.986 -0.747 11.005 1.00 75.04 H new ATOM 0 HG3 GLN A 120 -3.790 0.218 9.555 1.00 75.04 H new ATOM 0 HE21 GLN A 120 -5.213 -2.259 9.998 1.00 31.32 H new ATOM 0 HE22 GLN A 120 -4.550 -3.407 8.830 1.00 31.32 H new ATOM 1778 N VAL A 121 -1.645 -3.311 11.596 1.00 13.11 N ATOM 1779 CA VAL A 121 -1.289 -4.640 11.177 1.00 53.33 C ATOM 1780 C VAL A 121 -2.116 -4.999 9.950 1.00 70.41 C ATOM 1781 O VAL A 121 -3.345 -5.012 10.019 1.00 61.52 O ATOM 1782 CB VAL A 121 -1.415 -5.688 12.324 1.00 71.44 C ATOM 1783 CG1 VAL A 121 -2.817 -5.749 12.922 1.00 13.42 C ATOM 1784 CG2 VAL A 121 -0.965 -7.046 11.845 1.00 71.40 C ATOM 0 H VAL A 121 -2.532 -3.240 12.095 1.00 13.11 H new ATOM 0 HA VAL A 121 -0.233 -4.659 10.909 1.00 53.33 H new ATOM 0 HB VAL A 121 -0.757 -5.362 13.130 1.00 71.44 H new ATOM 0 HG11 VAL A 121 -2.842 -6.496 13.715 1.00 13.42 H new ATOM 0 HG12 VAL A 121 -3.080 -4.774 13.333 1.00 13.42 H new ATOM 0 HG13 VAL A 121 -3.532 -6.020 12.145 1.00 13.42 H new ATOM 0 HG21 VAL A 121 -1.059 -7.768 12.657 1.00 71.40 H new ATOM 0 HG22 VAL A 121 -1.586 -7.360 11.007 1.00 71.40 H new ATOM 0 HG23 VAL A 121 0.076 -6.993 11.525 1.00 71.40 H new ATOM 1794 N MET A 122 -1.420 -5.263 8.836 1.00 2.44 N ATOM 1795 CA MET A 122 -2.027 -5.441 7.498 1.00 43.23 C ATOM 1796 C MET A 122 -3.306 -6.267 7.541 1.00 41.24 C ATOM 1797 O MET A 122 -3.291 -7.472 7.837 1.00 62.04 O ATOM 1798 CB MET A 122 -1.015 -6.006 6.498 1.00 74.23 C ATOM 1799 CG MET A 122 0.175 -5.081 6.233 1.00 71.25 C ATOM 1800 SD MET A 122 1.312 -5.725 4.979 1.00 11.23 S ATOM 1801 CE MET A 122 2.598 -4.479 4.988 1.00 23.05 C ATOM 0 H MET A 122 -0.405 -5.361 8.833 1.00 2.44 H new ATOM 0 HA MET A 122 -2.317 -4.450 7.148 1.00 43.23 H new ATOM 0 HB2 MET A 122 -0.645 -6.961 6.871 1.00 74.23 H new ATOM 0 HB3 MET A 122 -1.524 -6.207 5.555 1.00 74.23 H new ATOM 0 HG2 MET A 122 -0.194 -4.107 5.913 1.00 71.25 H new ATOM 0 HG3 MET A 122 0.721 -4.926 7.164 1.00 71.25 H new ATOM 0 HE1 MET A 122 3.492 -4.875 4.507 1.00 23.05 H new ATOM 0 HE2 MET A 122 2.255 -3.598 4.446 1.00 23.05 H new ATOM 0 HE3 MET A 122 2.831 -4.204 6.017 1.00 23.05 H new ATOM 1811 N GLN A 123 -4.408 -5.600 7.260 1.00 53.04 N ATOM 1812 CA GLN A 123 -5.712 -6.160 7.443 1.00 15.54 C ATOM 1813 C GLN A 123 -6.394 -6.313 6.097 1.00 32.51 C ATOM 1814 O GLN A 123 -6.323 -5.421 5.256 1.00 11.32 O ATOM 1815 CB GLN A 123 -6.504 -5.243 8.374 1.00 60.52 C ATOM 1816 CG GLN A 123 -7.810 -5.814 8.871 1.00 13.03 C ATOM 1817 CD GLN A 123 -8.492 -4.898 9.864 1.00 75.32 C ATOM 1818 OE1 GLN A 123 -7.846 -4.133 10.596 1.00 43.23 O ATOM 1819 NE2 GLN A 123 -9.780 -4.982 9.924 1.00 13.25 N ATOM 0 H GLN A 123 -4.413 -4.647 6.896 1.00 53.04 H new ATOM 0 HA GLN A 123 -5.649 -7.150 7.894 1.00 15.54 H new ATOM 0 HB2 GLN A 123 -5.881 -4.998 9.234 1.00 60.52 H new ATOM 0 HB3 GLN A 123 -6.709 -4.308 7.852 1.00 60.52 H new ATOM 0 HG2 GLN A 123 -8.474 -5.989 8.024 1.00 13.03 H new ATOM 0 HG3 GLN A 123 -7.627 -6.782 9.338 1.00 13.03 H new ATOM 0 HE21 GLN A 123 -10.279 -5.622 9.306 1.00 13.25 H new ATOM 0 HE22 GLN A 123 -10.298 -4.408 10.589 1.00 13.25 H new ATOM 1828 N THR A 124 -7.026 -7.436 5.898 1.00 63.54 N ATOM 1829 CA THR A 124 -7.643 -7.749 4.646 1.00 4.02 C ATOM 1830 C THR A 124 -9.009 -7.059 4.465 1.00 50.23 C ATOM 1831 O THR A 124 -9.882 -7.098 5.349 1.00 2.22 O ATOM 1832 CB THR A 124 -7.761 -9.296 4.455 1.00 24.14 C ATOM 1833 OG1 THR A 124 -8.177 -9.610 3.121 1.00 13.43 O ATOM 1834 CG2 THR A 124 -8.712 -9.944 5.464 1.00 21.01 C ATOM 0 H THR A 124 -7.126 -8.163 6.607 1.00 63.54 H new ATOM 0 HA THR A 124 -6.992 -7.353 3.866 1.00 4.02 H new ATOM 0 HB THR A 124 -6.768 -9.708 4.633 1.00 24.14 H new ATOM 0 HG1 THR A 124 -8.244 -10.582 3.019 1.00 13.43 H new ATOM 0 HG21 THR A 124 -8.756 -11.018 5.285 1.00 21.01 H new ATOM 0 HG22 THR A 124 -8.350 -9.759 6.475 1.00 21.01 H new ATOM 0 HG23 THR A 124 -9.708 -9.517 5.351 1.00 21.01 H new ATOM 1842 N GLY A 125 -9.146 -6.376 3.350 1.00 23.05 N ATOM 1843 CA GLY A 125 -10.390 -5.794 2.958 1.00 12.52 C ATOM 1844 C GLY A 125 -10.640 -4.498 3.647 1.00 52.24 C ATOM 1845 O GLY A 125 -11.784 -4.181 3.975 1.00 52.32 O ATOM 0 H GLY A 125 -8.385 -6.213 2.691 1.00 23.05 H new ATOM 0 HA2 GLY A 125 -10.393 -5.638 1.879 1.00 12.52 H new ATOM 0 HA3 GLY A 125 -11.201 -6.487 3.182 1.00 12.52 H new ATOM 1849 N ASP A 126 -9.598 -3.760 3.910 1.00 34.13 N ATOM 1850 CA ASP A 126 -9.761 -2.484 4.564 1.00 71.42 C ATOM 1851 C ASP A 126 -8.863 -1.480 3.882 1.00 63.05 C ATOM 1852 O ASP A 126 -7.868 -1.881 3.247 1.00 43.25 O ATOM 1853 CB ASP A 126 -9.451 -2.594 6.063 1.00 35.33 C ATOM 1854 CG ASP A 126 -10.019 -1.440 6.865 1.00 25.40 C ATOM 1855 OD1 ASP A 126 -11.256 -1.420 7.090 1.00 70.31 O ATOM 1856 OD2 ASP A 126 -9.271 -0.587 7.326 1.00 41.25 O ATOM 0 H ASP A 126 -8.635 -4.012 3.686 1.00 34.13 H new ATOM 0 HA ASP A 126 -10.796 -2.153 4.482 1.00 71.42 H new ATOM 0 HB2 ASP A 126 -9.856 -3.531 6.446 1.00 35.33 H new ATOM 0 HB3 ASP A 126 -8.371 -2.632 6.204 1.00 35.33 H new ATOM 1861 N GLU A 127 -9.186 -0.207 3.968 1.00 23.21 N ATOM 1862 CA GLU A 127 -8.417 0.777 3.253 1.00 51.31 C ATOM 1863 C GLU A 127 -7.755 1.792 4.161 1.00 44.04 C ATOM 1864 O GLU A 127 -8.356 2.318 5.099 1.00 61.43 O ATOM 1865 CB GLU A 127 -9.231 1.430 2.132 1.00 65.01 C ATOM 1866 CG GLU A 127 -10.524 2.074 2.574 1.00 73.23 C ATOM 1867 CD GLU A 127 -11.304 2.592 1.405 1.00 13.12 C ATOM 1868 OE1 GLU A 127 -12.078 1.815 0.791 1.00 70.32 O ATOM 1869 OE2 GLU A 127 -11.168 3.776 1.062 1.00 42.33 O ATOM 0 H GLU A 127 -9.963 0.162 4.517 1.00 23.21 H new ATOM 0 HA GLU A 127 -7.597 0.239 2.778 1.00 51.31 H new ATOM 0 HB2 GLU A 127 -8.613 2.186 1.648 1.00 65.01 H new ATOM 0 HB3 GLU A 127 -9.458 0.674 1.380 1.00 65.01 H new ATOM 0 HG2 GLU A 127 -11.125 1.348 3.122 1.00 73.23 H new ATOM 0 HG3 GLU A 127 -10.308 2.892 3.261 1.00 73.23 H new ATOM 1876 N ILE A 128 -6.522 2.052 3.863 1.00 1.22 N ATOM 1877 CA ILE A 128 -5.684 2.942 4.608 1.00 3.11 C ATOM 1878 C ILE A 128 -5.405 4.174 3.760 1.00 3.24 C ATOM 1879 O ILE A 128 -5.060 4.059 2.580 1.00 73.22 O ATOM 1880 CB ILE A 128 -4.328 2.250 4.954 1.00 61.44 C ATOM 1881 CG1 ILE A 128 -4.572 0.930 5.712 1.00 31.43 C ATOM 1882 CG2 ILE A 128 -3.428 3.179 5.773 1.00 72.12 C ATOM 1883 CD1 ILE A 128 -3.310 0.136 6.002 1.00 51.05 C ATOM 0 H ILE A 128 -6.050 1.634 3.061 1.00 1.22 H new ATOM 0 HA ILE A 128 -6.189 3.218 5.534 1.00 3.11 H new ATOM 0 HB ILE A 128 -3.817 2.025 4.018 1.00 61.44 H new ATOM 0 HG12 ILE A 128 -5.072 1.152 6.654 1.00 31.43 H new ATOM 0 HG13 ILE A 128 -5.252 0.309 5.129 1.00 31.43 H new ATOM 0 HG21 ILE A 128 -2.491 2.671 6.000 1.00 72.12 H new ATOM 0 HG22 ILE A 128 -3.221 4.083 5.200 1.00 72.12 H new ATOM 0 HG23 ILE A 128 -3.930 3.445 6.703 1.00 72.12 H new ATOM 0 HD11 ILE A 128 -3.570 -0.777 6.537 1.00 51.05 H new ATOM 0 HD12 ILE A 128 -2.818 -0.121 5.064 1.00 51.05 H new ATOM 0 HD13 ILE A 128 -2.635 0.735 6.613 1.00 51.05 H new ATOM 1895 N GLN A 129 -5.595 5.325 4.322 1.00 1.00 N ATOM 1896 CA GLN A 129 -5.283 6.531 3.647 1.00 50.20 C ATOM 1897 C GLN A 129 -3.856 6.906 4.007 1.00 73.54 C ATOM 1898 O GLN A 129 -3.553 7.251 5.160 1.00 60.11 O ATOM 1899 CB GLN A 129 -6.240 7.660 4.046 1.00 0.23 C ATOM 1900 CG GLN A 129 -6.061 8.930 3.220 1.00 11.53 C ATOM 1901 CD GLN A 129 -6.954 10.067 3.665 1.00 54.33 C ATOM 1902 OE1 GLN A 129 -8.095 10.196 3.210 1.00 44.42 O ATOM 1903 NE2 GLN A 129 -6.439 10.930 4.494 1.00 52.34 N ATOM 0 H GLN A 129 -5.971 5.449 5.262 1.00 1.00 H new ATOM 0 HA GLN A 129 -5.388 6.385 2.572 1.00 50.20 H new ATOM 0 HB2 GLN A 129 -7.267 7.309 3.941 1.00 0.23 H new ATOM 0 HB3 GLN A 129 -6.090 7.897 5.099 1.00 0.23 H new ATOM 0 HG2 GLN A 129 -5.021 9.250 3.280 1.00 11.53 H new ATOM 0 HG3 GLN A 129 -6.266 8.706 2.173 1.00 11.53 H new ATOM 0 HE21 GLN A 129 -5.493 10.793 4.851 1.00 52.34 H new ATOM 0 HE22 GLN A 129 -6.982 11.743 4.786 1.00 52.34 H new ATOM 1912 N ILE A 130 -3.007 6.820 3.042 1.00 63.13 N ATOM 1913 CA ILE A 130 -1.637 7.174 3.183 1.00 21.01 C ATOM 1914 C ILE A 130 -1.481 8.609 2.744 1.00 52.22 C ATOM 1915 O ILE A 130 -1.490 8.940 1.543 1.00 70.41 O ATOM 1916 CB ILE A 130 -0.683 6.202 2.419 1.00 62.40 C ATOM 1917 CG1 ILE A 130 -1.167 5.956 0.967 1.00 12.45 C ATOM 1918 CG2 ILE A 130 -0.551 4.887 3.186 1.00 3.24 C ATOM 1919 CD1 ILE A 130 -0.287 5.020 0.166 1.00 0.10 C ATOM 0 H ILE A 130 -3.253 6.493 2.108 1.00 63.13 H new ATOM 0 HA ILE A 130 -1.341 7.079 4.228 1.00 21.01 H new ATOM 0 HB ILE A 130 0.300 6.668 2.355 1.00 62.40 H new ATOM 0 HG12 ILE A 130 -2.177 5.548 0.998 1.00 12.45 H new ATOM 0 HG13 ILE A 130 -1.225 6.913 0.449 1.00 12.45 H new ATOM 0 HG21 ILE A 130 0.116 4.216 2.645 1.00 3.24 H new ATOM 0 HG22 ILE A 130 -0.143 5.083 4.177 1.00 3.24 H new ATOM 0 HG23 ILE A 130 -1.532 4.422 3.283 1.00 3.24 H new ATOM 0 HD11 ILE A 130 -0.698 4.903 -0.837 1.00 0.10 H new ATOM 0 HD12 ILE A 130 0.719 5.434 0.100 1.00 0.10 H new ATOM 0 HD13 ILE A 130 -0.248 4.048 0.657 1.00 0.10 H new ATOM 1931 N GLY A 131 -1.452 9.470 3.714 1.00 2.24 N ATOM 1932 CA GLY A 131 -1.421 10.856 3.444 1.00 0.12 C ATOM 1933 C GLY A 131 -2.803 11.328 3.110 1.00 65.41 C ATOM 1934 O GLY A 131 -3.667 11.437 3.983 1.00 53.43 O ATOM 0 H GLY A 131 -1.449 9.225 4.704 1.00 2.24 H new ATOM 0 HA2 GLY A 131 -1.039 11.398 4.309 1.00 0.12 H new ATOM 0 HA3 GLY A 131 -0.744 11.061 2.615 1.00 0.12 H new ATOM 1938 N LYS A 132 -3.034 11.552 1.852 1.00 63.11 N ATOM 1939 CA LYS A 132 -4.327 11.980 1.383 1.00 11.03 C ATOM 1940 C LYS A 132 -4.843 11.013 0.327 1.00 74.04 C ATOM 1941 O LYS A 132 -5.911 11.217 -0.244 1.00 31.21 O ATOM 1942 CB LYS A 132 -4.252 13.405 0.817 1.00 10.42 C ATOM 1943 CG LYS A 132 -3.837 14.479 1.832 1.00 1.32 C ATOM 1944 CD LYS A 132 -4.863 14.675 2.955 1.00 14.50 C ATOM 1945 CE LYS A 132 -6.202 15.174 2.419 1.00 51.40 C ATOM 1946 NZ LYS A 132 -7.155 15.474 3.504 1.00 72.24 N ATOM 0 H LYS A 132 -2.335 11.445 1.117 1.00 63.11 H new ATOM 0 HA LYS A 132 -5.020 11.985 2.224 1.00 11.03 H new ATOM 0 HB2 LYS A 132 -3.544 13.415 -0.012 1.00 10.42 H new ATOM 0 HB3 LYS A 132 -5.227 13.670 0.407 1.00 10.42 H new ATOM 0 HG2 LYS A 132 -2.877 14.205 2.269 1.00 1.32 H new ATOM 0 HG3 LYS A 132 -3.692 15.426 1.311 1.00 1.32 H new ATOM 0 HD2 LYS A 132 -5.011 13.732 3.481 1.00 14.50 H new ATOM 0 HD3 LYS A 132 -4.474 15.388 3.682 1.00 14.50 H new ATOM 0 HE2 LYS A 132 -6.041 16.070 1.820 1.00 51.40 H new ATOM 0 HE3 LYS A 132 -6.631 14.421 1.758 1.00 51.40 H new ATOM 0 HZ1 LYS A 132 -8.051 15.810 3.096 1.00 72.24 H new ATOM 0 HZ2 LYS A 132 -7.329 14.613 4.061 1.00 72.24 H new ATOM 0 HZ3 LYS A 132 -6.758 16.211 4.121 1.00 72.24 H new ATOM 1960 N PHE A 133 -4.113 9.941 0.110 1.00 64.33 N ATOM 1961 CA PHE A 133 -4.478 8.978 -0.910 1.00 73.04 C ATOM 1962 C PHE A 133 -4.874 7.664 -0.283 1.00 51.25 C ATOM 1963 O PHE A 133 -4.414 7.336 0.788 1.00 2.43 O ATOM 1964 CB PHE A 133 -3.365 8.827 -1.941 1.00 33.21 C ATOM 1965 CG PHE A 133 -3.143 10.089 -2.728 1.00 44.13 C ATOM 1966 CD1 PHE A 133 -4.206 10.699 -3.387 1.00 1.21 C ATOM 1967 CD2 PHE A 133 -1.899 10.677 -2.794 1.00 55.02 C ATOM 1968 CE1 PHE A 133 -4.025 11.863 -4.094 1.00 62.10 C ATOM 1969 CE2 PHE A 133 -1.716 11.846 -3.504 1.00 74.24 C ATOM 1970 CZ PHE A 133 -2.777 12.439 -4.152 1.00 63.10 C ATOM 0 H PHE A 133 -3.263 9.713 0.625 1.00 64.33 H new ATOM 0 HA PHE A 133 -5.351 9.349 -1.448 1.00 73.04 H new ATOM 0 HB2 PHE A 133 -2.440 8.549 -1.436 1.00 33.21 H new ATOM 0 HB3 PHE A 133 -3.613 8.014 -2.624 1.00 33.21 H new ATOM 0 HD1 PHE A 133 -5.188 10.251 -3.342 1.00 1.21 H new ATOM 0 HD2 PHE A 133 -1.062 10.220 -2.287 1.00 55.02 H new ATOM 0 HE1 PHE A 133 -4.859 12.324 -4.602 1.00 62.10 H new ATOM 0 HE2 PHE A 133 -0.736 12.298 -3.552 1.00 74.24 H new ATOM 0 HZ PHE A 133 -2.629 13.355 -4.705 1.00 63.10 H new ATOM 1980 N ARG A 134 -5.716 6.907 -0.946 1.00 61.42 N ATOM 1981 CA ARG A 134 -6.298 5.734 -0.322 1.00 4.11 C ATOM 1982 C ARG A 134 -5.838 4.436 -0.972 1.00 2.13 C ATOM 1983 O ARG A 134 -5.910 4.263 -2.205 1.00 21.11 O ATOM 1984 CB ARG A 134 -7.830 5.852 -0.272 1.00 12.04 C ATOM 1985 CG ARG A 134 -8.290 7.152 0.391 1.00 23.13 C ATOM 1986 CD ARG A 134 -9.797 7.244 0.567 1.00 15.31 C ATOM 1987 NE ARG A 134 -10.306 6.272 1.536 1.00 53.24 N ATOM 1988 CZ ARG A 134 -10.525 6.523 2.835 1.00 53.20 C ATOM 1989 NH1 ARG A 134 -10.196 7.708 3.373 1.00 64.01 N ATOM 1990 NH2 ARG A 134 -11.071 5.597 3.590 1.00 0.24 N ATOM 0 H ARG A 134 -6.013 7.076 -1.907 1.00 61.42 H new ATOM 0 HA ARG A 134 -5.933 5.693 0.704 1.00 4.11 H new ATOM 0 HB2 ARG A 134 -8.229 5.802 -1.285 1.00 12.04 H new ATOM 0 HB3 ARG A 134 -8.240 5.003 0.275 1.00 12.04 H new ATOM 0 HG2 ARG A 134 -7.812 7.241 1.367 1.00 23.13 H new ATOM 0 HG3 ARG A 134 -7.950 7.996 -0.209 1.00 23.13 H new ATOM 0 HD2 ARG A 134 -10.061 8.250 0.893 1.00 15.31 H new ATOM 0 HD3 ARG A 134 -10.283 7.082 -0.395 1.00 15.31 H new ATOM 0 HE ARG A 134 -10.510 5.332 1.197 1.00 53.24 H new ATOM 0 HH11 ARG A 134 -9.773 8.432 2.792 1.00 64.01 H new ATOM 0 HH12 ARG A 134 -10.369 7.884 4.363 1.00 64.01 H new ATOM 0 HH21 ARG A 134 -11.325 4.695 3.187 1.00 0.24 H new ATOM 0 HH22 ARG A 134 -11.241 5.780 4.579 1.00 0.24 H new ATOM 2004 N LEU A 135 -5.369 3.551 -0.135 1.00 12.05 N ATOM 2005 CA LEU A 135 -4.831 2.265 -0.508 1.00 32.25 C ATOM 2006 C LEU A 135 -5.673 1.174 0.156 1.00 3.14 C ATOM 2007 O LEU A 135 -5.945 1.262 1.335 1.00 24.10 O ATOM 2008 CB LEU A 135 -3.399 2.196 0.044 1.00 70.45 C ATOM 2009 CG LEU A 135 -2.611 0.922 -0.213 1.00 5.44 C ATOM 2010 CD1 LEU A 135 -2.271 0.795 -1.677 1.00 20.42 C ATOM 2011 CD2 LEU A 135 -1.357 0.905 0.635 1.00 74.31 C ATOM 0 H LEU A 135 -5.349 3.711 0.872 1.00 12.05 H new ATOM 0 HA LEU A 135 -4.840 2.128 -1.589 1.00 32.25 H new ATOM 0 HB2 LEU A 135 -2.836 3.030 -0.374 1.00 70.45 H new ATOM 0 HB3 LEU A 135 -3.446 2.352 1.122 1.00 70.45 H new ATOM 0 HG LEU A 135 -3.227 0.067 0.065 1.00 5.44 H new ATOM 0 HD11 LEU A 135 -1.707 -0.123 -1.841 1.00 20.42 H new ATOM 0 HD12 LEU A 135 -3.190 0.766 -2.263 1.00 20.42 H new ATOM 0 HD13 LEU A 135 -1.670 1.650 -1.987 1.00 20.42 H new ATOM 0 HD21 LEU A 135 -0.800 -0.012 0.443 1.00 74.31 H new ATOM 0 HD22 LEU A 135 -0.737 1.765 0.384 1.00 74.31 H new ATOM 0 HD23 LEU A 135 -1.630 0.949 1.689 1.00 74.31 H new ATOM 2023 N VAL A 136 -6.073 0.171 -0.576 1.00 21.03 N ATOM 2024 CA VAL A 136 -6.861 -0.900 -0.005 1.00 32.11 C ATOM 2025 C VAL A 136 -5.993 -2.148 0.094 1.00 72.44 C ATOM 2026 O VAL A 136 -5.268 -2.493 -0.853 1.00 2.12 O ATOM 2027 CB VAL A 136 -8.194 -1.163 -0.800 1.00 41.24 C ATOM 2028 CG1 VAL A 136 -7.949 -1.569 -2.246 1.00 50.52 C ATOM 2029 CG2 VAL A 136 -9.077 -2.186 -0.089 1.00 63.21 C ATOM 0 H VAL A 136 -5.869 0.068 -1.570 1.00 21.03 H new ATOM 0 HA VAL A 136 -7.181 -0.605 0.994 1.00 32.11 H new ATOM 0 HB VAL A 136 -8.725 -0.211 -0.825 1.00 41.24 H new ATOM 0 HG11 VAL A 136 -8.904 -1.737 -2.744 1.00 50.52 H new ATOM 0 HG12 VAL A 136 -7.407 -0.775 -2.760 1.00 50.52 H new ATOM 0 HG13 VAL A 136 -7.360 -2.486 -2.272 1.00 50.52 H new ATOM 0 HG21 VAL A 136 -9.989 -2.343 -0.666 1.00 63.21 H new ATOM 0 HG22 VAL A 136 -8.539 -3.129 0.003 1.00 63.21 H new ATOM 0 HG23 VAL A 136 -9.335 -1.817 0.904 1.00 63.21 H new ATOM 2039 N PHE A 137 -6.013 -2.787 1.233 1.00 33.20 N ATOM 2040 CA PHE A 137 -5.157 -3.920 1.464 1.00 10.54 C ATOM 2041 C PHE A 137 -5.960 -5.208 1.503 1.00 54.44 C ATOM 2042 O PHE A 137 -7.001 -5.276 2.155 1.00 43.13 O ATOM 2043 CB PHE A 137 -4.357 -3.752 2.762 1.00 20.00 C ATOM 2044 CG PHE A 137 -3.258 -4.761 2.884 1.00 11.12 C ATOM 2045 CD1 PHE A 137 -3.475 -6.000 3.467 1.00 3.11 C ATOM 2046 CD2 PHE A 137 -2.011 -4.478 2.370 1.00 44.10 C ATOM 2047 CE1 PHE A 137 -2.470 -6.928 3.529 1.00 63.10 C ATOM 2048 CE2 PHE A 137 -1.000 -5.398 2.434 1.00 63.11 C ATOM 2049 CZ PHE A 137 -1.229 -6.625 3.011 1.00 73.12 C ATOM 0 H PHE A 137 -6.615 -2.541 2.019 1.00 33.20 H new ATOM 0 HA PHE A 137 -4.454 -3.977 0.633 1.00 10.54 H new ATOM 0 HB2 PHE A 137 -3.932 -2.749 2.798 1.00 20.00 H new ATOM 0 HB3 PHE A 137 -5.029 -3.844 3.615 1.00 20.00 H new ATOM 0 HD1 PHE A 137 -4.446 -6.236 3.876 1.00 3.11 H new ATOM 0 HD2 PHE A 137 -1.829 -3.518 1.911 1.00 44.10 H new ATOM 0 HE1 PHE A 137 -2.649 -7.892 3.981 1.00 63.10 H new ATOM 0 HE2 PHE A 137 -0.026 -5.161 2.033 1.00 63.11 H new ATOM 0 HZ PHE A 137 -0.434 -7.354 3.059 1.00 73.12 H new ATOM 2059 N LEU A 138 -5.511 -6.210 0.773 1.00 33.23 N ATOM 2060 CA LEU A 138 -6.163 -7.503 0.777 1.00 44.24 C ATOM 2061 C LEU A 138 -5.165 -8.584 1.145 1.00 63.43 C ATOM 2062 O LEU A 138 -4.118 -8.742 0.492 1.00 45.30 O ATOM 2063 CB LEU A 138 -6.831 -7.839 -0.571 1.00 71.53 C ATOM 2064 CG LEU A 138 -7.978 -6.926 -1.043 1.00 51.13 C ATOM 2065 CD1 LEU A 138 -7.475 -5.602 -1.607 1.00 53.12 C ATOM 2066 CD2 LEU A 138 -8.839 -7.645 -2.047 1.00 0.21 C ATOM 0 H LEU A 138 -4.693 -6.152 0.167 1.00 33.23 H new ATOM 0 HA LEU A 138 -6.956 -7.458 1.523 1.00 44.24 H new ATOM 0 HB2 LEU A 138 -6.058 -7.833 -1.340 1.00 71.53 H new ATOM 0 HB3 LEU A 138 -7.214 -8.858 -0.512 1.00 71.53 H new ATOM 0 HG LEU A 138 -8.581 -6.684 -0.168 1.00 51.13 H new ATOM 0 HD11 LEU A 138 -8.323 -4.996 -1.925 1.00 53.12 H new ATOM 0 HD12 LEU A 138 -6.916 -5.068 -0.839 1.00 53.12 H new ATOM 0 HD13 LEU A 138 -6.826 -5.794 -2.461 1.00 53.12 H new ATOM 0 HD21 LEU A 138 -9.646 -6.988 -2.372 1.00 0.21 H new ATOM 0 HD22 LEU A 138 -8.234 -7.929 -2.908 1.00 0.21 H new ATOM 0 HD23 LEU A 138 -9.262 -8.539 -1.589 1.00 0.21 H new ATOM 2078 N ALA A 139 -5.472 -9.343 2.168 1.00 54.41 N ATOM 2079 CA ALA A 139 -4.567 -10.363 2.619 1.00 70.34 C ATOM 2080 C ALA A 139 -4.904 -11.691 2.009 1.00 71.14 C ATOM 2081 O ALA A 139 -5.653 -12.485 2.572 1.00 71.04 O ATOM 2082 CB ALA A 139 -4.470 -10.450 4.137 1.00 73.12 C ATOM 0 H ALA A 139 -6.339 -9.272 2.700 1.00 54.41 H new ATOM 0 HA ALA A 139 -3.575 -10.072 2.273 1.00 70.34 H new ATOM 0 HB1 ALA A 139 -3.771 -11.239 4.412 1.00 73.12 H new ATOM 0 HB2 ALA A 139 -4.117 -9.498 4.534 1.00 73.12 H new ATOM 0 HB3 ALA A 139 -5.452 -10.675 4.552 1.00 73.12 H new ATOM 2088 N GLY A 140 -4.430 -11.883 0.820 1.00 3.20 N ATOM 2089 CA GLY A 140 -4.613 -13.119 0.134 1.00 71.03 C ATOM 2090 C GLY A 140 -3.281 -13.625 -0.323 1.00 62.34 C ATOM 2091 O GLY A 140 -2.787 -13.162 -1.355 1.00 62.10 O ATOM 0 H GLY A 140 -3.903 -11.184 0.296 1.00 3.20 H new ATOM 0 HA2 GLY A 140 -5.087 -13.848 0.791 1.00 71.03 H new ATOM 0 HA3 GLY A 140 -5.276 -12.981 -0.720 1.00 71.03 H new ATOM 2095 N PRO A 141 -2.651 -14.542 0.450 1.00 1.21 N ATOM 2096 CA PRO A 141 -1.319 -15.064 0.147 1.00 74.03 C ATOM 2097 C PRO A 141 -1.177 -15.551 -1.283 1.00 44.11 C ATOM 2098 O PRO A 141 -1.886 -16.456 -1.745 1.00 70.43 O ATOM 2099 CB PRO A 141 -1.136 -16.221 1.086 1.00 55.11 C ATOM 2100 CG PRO A 141 -2.071 -15.971 2.223 1.00 44.11 C ATOM 2101 CD PRO A 141 -3.201 -15.136 1.686 1.00 23.20 C ATOM 0 HA PRO A 141 -0.574 -14.277 0.265 1.00 74.03 H new ATOM 0 HB2 PRO A 141 -1.364 -17.166 0.592 1.00 55.11 H new ATOM 0 HB3 PRO A 141 -0.105 -16.284 1.434 1.00 55.11 H new ATOM 0 HG2 PRO A 141 -2.445 -16.911 2.629 1.00 44.11 H new ATOM 0 HG3 PRO A 141 -1.561 -15.453 3.035 1.00 44.11 H new ATOM 0 HD2 PRO A 141 -4.082 -15.743 1.479 1.00 23.20 H new ATOM 0 HD3 PRO A 141 -3.503 -14.368 2.398 1.00 23.20 H new