USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 595 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 5 MET CE :methyl -175:sc=-5.57e-05 (180deg=-0.0109) USER MOD Set 1.2: A 80 SER OG : rot 100:sc=-0.00254 USER MOD Set 2.1: A 58 THR OG1 : rot -58:sc= 0.517 USER MOD Set 2.2: A 79 TYR OH : rot 180:sc= 0.373 USER MOD Set 3.1: A 76 SER OG : rot 90:sc= 0.856 USER MOD Set 3.2: A 78 HIS : no HE2:sc= 1.06 K(o=1.9,f=-5.2!) USER MOD Set 4.1: A 37 ASN : amide:sc= -2.78! K(o=-1.1!,f=0.96) USER MOD Set 4.2: A 40 SER OG : rot -154:sc= 0.903 USER MOD Set 4.3: A 42 GLN : amide:sc= 0.814 K(o=-1.1,f=0.76) USER MOD Set 5.1: A 11 GLN : amide:sc= 0.143 X(o=0.12,f=-0.066) USER MOD Set 5.2: A 35 MET CE :methyl 173:sc= -0.0257 (180deg=-0.0947) USER MOD Single : A 1 SER N :NH3+ -143:sc= 0.399 (180deg=0.00373) USER MOD Single : A 1 SER OG : rot 111:sc= 1.02 USER MOD Single : A 2 ASN : amide:sc= 0.185 K(o=0.18,f=-4.9!) USER MOD Single : A 8 MET CE :methyl -161:sc= -0.0606 (180deg=-0.289) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.333 USER MOD Single : A 21 GLN : amide:sc= -0.056 K(o=-0.056,f=-3.5!) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HE2:sc= -8.09! X(o=-8.1!,f=-8.5) USER MOD Single : A 28 GLN : amide:sc= -2.55! C(o=-2.6!,f=-2.8!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 48:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -0.196 X(o=-0.2,f=-0.26) USER MOD Single : A 55 GLN : amide:sc= 0.727 K(o=0.73,f=0) USER MOD Single : A 61 MET CE :methyl -144:sc= -0.0102 (180deg=-1.71) USER MOD Single : A 64 ASN : amide:sc= 0.32 K(o=0.32,f=-0.98) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 HIS : no HD1:sc= -0.307 X(o=-0.31,f=-0.007) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0.578 K(o=0.58,f=0) USER MOD Single : A 73 GLN : amide:sc= -0.372 X(o=-0.37,f=-0.1) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 MET CE :methyl -153:sc= -0.0281 (180deg=-0.729) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 ASN : amide:sc= -0.494 X(o=-0.49,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -4.196 10.912 -3.761 1.00 60.33 N ATOM 2 CA SER A 1 -4.881 9.665 -3.379 1.00 52.42 C ATOM 3 C SER A 1 -4.482 9.295 -1.949 1.00 74.33 C ATOM 4 O SER A 1 -3.700 10.027 -1.350 1.00 72.22 O ATOM 5 CB SER A 1 -4.545 8.553 -4.376 1.00 40.01 C ATOM 6 OG SER A 1 -4.776 8.983 -5.705 1.00 42.02 O ATOM 0 H1 SER A 1 -4.831 11.491 -4.347 1.00 60.33 H new ATOM 0 H2 SER A 1 -3.936 11.442 -2.905 1.00 60.33 H new ATOM 0 H3 SER A 1 -3.337 10.685 -4.301 1.00 60.33 H new ATOM 0 HA SER A 1 -5.962 9.804 -3.406 1.00 52.42 H new ATOM 0 HB2 SER A 1 -3.502 8.258 -4.261 1.00 40.01 H new ATOM 0 HB3 SER A 1 -5.151 7.672 -4.163 1.00 40.01 H new ATOM 0 HG SER A 1 -3.919 9.081 -6.171 1.00 42.02 H new ATOM 11 N ASN A 2 -5.002 8.201 -1.372 1.00 62.43 N ATOM 12 CA ASN A 2 -4.717 7.787 -0.001 1.00 44.34 C ATOM 13 C ASN A 2 -4.359 6.298 0.087 1.00 22.15 C ATOM 14 O ASN A 2 -3.947 5.844 1.147 1.00 62.51 O ATOM 15 CB ASN A 2 -5.951 8.144 0.828 1.00 1.33 C ATOM 16 CG ASN A 2 -5.856 7.691 2.264 1.00 71.54 C ATOM 17 OD1 ASN A 2 -5.102 8.269 3.036 1.00 4.43 O ATOM 18 ND2 ASN A 2 -6.617 6.673 2.611 1.00 53.03 N ATOM 0 H ASN A 2 -5.642 7.573 -1.858 1.00 62.43 H new ATOM 0 HA ASN A 2 -3.839 8.305 0.386 1.00 44.34 H new ATOM 0 HB2 ASN A 2 -6.097 9.224 0.804 1.00 1.33 H new ATOM 0 HB3 ASN A 2 -6.831 7.693 0.369 1.00 1.33 H new ATOM 0 HD21 ASN A 2 -6.598 6.325 3.570 1.00 53.03 H new ATOM 0 HD22 ASN A 2 -7.225 6.233 1.921 1.00 53.03 H new ATOM 24 N ILE A 3 -4.437 5.545 -1.018 1.00 3.11 N ATOM 25 CA ILE A 3 -3.875 4.199 -1.101 1.00 54.44 C ATOM 26 C ILE A 3 -2.540 4.320 -1.819 1.00 11.44 C ATOM 27 O ILE A 3 -2.464 4.991 -2.850 1.00 63.11 O ATOM 28 CB ILE A 3 -4.839 3.218 -1.814 1.00 74.41 C ATOM 29 CG1 ILE A 3 -6.081 3.040 -0.915 1.00 24.32 C ATOM 30 CG2 ILE A 3 -4.179 1.854 -2.083 1.00 51.21 C ATOM 31 CD1 ILE A 3 -7.214 2.173 -1.468 1.00 42.34 C ATOM 0 H ILE A 3 -4.892 5.855 -1.877 1.00 3.11 H new ATOM 0 HA ILE A 3 -3.728 3.781 -0.105 1.00 54.44 H new ATOM 0 HB ILE A 3 -5.115 3.630 -2.785 1.00 74.41 H new ATOM 0 HG12 ILE A 3 -5.756 2.610 0.033 1.00 24.32 H new ATOM 0 HG13 ILE A 3 -6.486 4.028 -0.695 1.00 24.32 H new ATOM 0 HG21 ILE A 3 -4.891 1.198 -2.584 1.00 51.21 H new ATOM 0 HG22 ILE A 3 -3.304 1.992 -2.718 1.00 51.21 H new ATOM 0 HG23 ILE A 3 -3.874 1.404 -1.138 1.00 51.21 H new ATOM 0 HD11 ILE A 3 -8.025 2.128 -0.742 1.00 42.34 H new ATOM 0 HD12 ILE A 3 -7.583 2.606 -2.398 1.00 42.34 H new ATOM 0 HD13 ILE A 3 -6.842 1.166 -1.659 1.00 42.34 H new ATOM 42 N VAL A 4 -1.538 3.611 -1.312 1.00 63.54 N ATOM 43 CA VAL A 4 -0.277 3.318 -1.969 1.00 51.30 C ATOM 44 C VAL A 4 -0.182 1.794 -1.970 1.00 64.34 C ATOM 45 O VAL A 4 -0.120 1.194 -0.899 1.00 35.14 O ATOM 46 CB VAL A 4 0.891 4.000 -1.235 1.00 13.43 C ATOM 47 CG1 VAL A 4 2.186 3.778 -2.012 1.00 72.43 C ATOM 48 CG2 VAL A 4 0.681 5.517 -1.098 1.00 23.13 C ATOM 0 H VAL A 4 -1.590 3.204 -0.378 1.00 63.54 H new ATOM 0 HA VAL A 4 -0.225 3.705 -2.987 1.00 51.30 H new ATOM 0 HB VAL A 4 0.943 3.558 -0.240 1.00 13.43 H new ATOM 0 HG11 VAL A 4 3.011 4.262 -1.490 1.00 72.43 H new ATOM 0 HG12 VAL A 4 2.384 2.709 -2.091 1.00 72.43 H new ATOM 0 HG13 VAL A 4 2.089 4.204 -3.011 1.00 72.43 H new ATOM 0 HG21 VAL A 4 1.530 5.956 -0.574 1.00 23.13 H new ATOM 0 HG22 VAL A 4 0.596 5.963 -2.089 1.00 23.13 H new ATOM 0 HG23 VAL A 4 -0.232 5.708 -0.534 1.00 23.13 H new ATOM 58 N MET A 5 -0.223 1.147 -3.138 1.00 14.15 N ATOM 59 CA MET A 5 0.154 -0.258 -3.245 1.00 72.40 C ATOM 60 C MET A 5 1.597 -0.372 -3.721 1.00 0.22 C ATOM 61 O MET A 5 2.129 0.590 -4.272 1.00 3.01 O ATOM 62 CB MET A 5 -0.837 -1.082 -4.061 1.00 71.44 C ATOM 63 CG MET A 5 -0.629 -1.073 -5.555 1.00 23.21 C ATOM 64 SD MET A 5 -0.836 -2.669 -6.372 1.00 52.44 S ATOM 65 CE MET A 5 -2.170 -2.172 -7.464 1.00 64.23 C ATOM 0 H MET A 5 -0.513 1.575 -4.017 1.00 14.15 H new ATOM 0 HA MET A 5 0.104 -0.705 -2.252 1.00 72.40 H new ATOM 0 HB2 MET A 5 -0.794 -2.114 -3.714 1.00 71.44 H new ATOM 0 HB3 MET A 5 -1.842 -0.717 -3.851 1.00 71.44 H new ATOM 0 HG2 MET A 5 -1.327 -0.363 -5.998 1.00 23.21 H new ATOM 0 HG3 MET A 5 0.375 -0.704 -5.763 1.00 23.21 H new ATOM 0 HE1 MET A 5 -2.530 -3.040 -8.017 1.00 64.23 H new ATOM 0 HE2 MET A 5 -2.986 -1.753 -6.875 1.00 64.23 H new ATOM 0 HE3 MET A 5 -1.806 -1.421 -8.165 1.00 64.23 H new ATOM 73 N LEU A 6 2.209 -1.541 -3.544 1.00 31.35 N ATOM 74 CA LEU A 6 3.642 -1.768 -3.712 1.00 3.34 C ATOM 75 C LEU A 6 3.838 -2.975 -4.618 1.00 15.02 C ATOM 76 O LEU A 6 3.853 -4.102 -4.136 1.00 20.32 O ATOM 77 CB LEU A 6 4.312 -2.023 -2.345 1.00 31.42 C ATOM 78 CG LEU A 6 4.315 -0.888 -1.307 1.00 75.12 C ATOM 79 CD1 LEU A 6 4.917 0.383 -1.891 1.00 60.12 C ATOM 80 CD2 LEU A 6 2.932 -0.592 -0.708 1.00 0.25 C ATOM 0 H LEU A 6 1.704 -2.384 -3.271 1.00 31.35 H new ATOM 0 HA LEU A 6 4.102 -0.886 -4.157 1.00 3.34 H new ATOM 0 HB2 LEU A 6 3.823 -2.886 -1.892 1.00 31.42 H new ATOM 0 HB3 LEU A 6 5.348 -2.305 -2.531 1.00 31.42 H new ATOM 0 HG LEU A 6 4.938 -1.243 -0.486 1.00 75.12 H new ATOM 0 HD11 LEU A 6 4.907 1.170 -1.137 1.00 60.12 H new ATOM 0 HD12 LEU A 6 5.944 0.190 -2.201 1.00 60.12 H new ATOM 0 HD13 LEU A 6 4.331 0.700 -2.754 1.00 60.12 H new ATOM 0 HD21 LEU A 6 3.015 0.219 0.015 1.00 0.25 H new ATOM 0 HD22 LEU A 6 2.246 -0.301 -1.503 1.00 0.25 H new ATOM 0 HD23 LEU A 6 2.553 -1.484 -0.210 1.00 0.25 H new ATOM 91 N ARG A 7 3.923 -2.782 -5.933 1.00 54.40 N ATOM 92 CA ARG A 7 4.162 -3.891 -6.859 1.00 53.41 C ATOM 93 C ARG A 7 5.606 -4.369 -6.746 1.00 35.31 C ATOM 94 O ARG A 7 6.471 -3.628 -6.287 1.00 24.14 O ATOM 95 CB ARG A 7 3.858 -3.470 -8.303 1.00 22.11 C ATOM 96 CG ARG A 7 2.359 -3.306 -8.581 1.00 35.45 C ATOM 97 CD ARG A 7 2.068 -3.407 -10.080 1.00 4.12 C ATOM 98 NE ARG A 7 2.797 -2.431 -10.915 1.00 0.11 N ATOM 99 CZ ARG A 7 3.008 -2.565 -12.234 1.00 51.03 C ATOM 100 NH1 ARG A 7 2.602 -3.653 -12.883 1.00 52.20 N ATOM 101 NH2 ARG A 7 3.638 -1.631 -12.936 1.00 60.54 N ATOM 0 H ARG A 7 3.830 -1.871 -6.382 1.00 54.40 H new ATOM 0 HA ARG A 7 3.494 -4.710 -6.592 1.00 53.41 H new ATOM 0 HB2 ARG A 7 4.365 -2.529 -8.515 1.00 22.11 H new ATOM 0 HB3 ARG A 7 4.268 -4.214 -8.986 1.00 22.11 H new ATOM 0 HG2 ARG A 7 1.800 -4.073 -8.045 1.00 35.45 H new ATOM 0 HG3 ARG A 7 2.018 -2.341 -8.204 1.00 35.45 H new ATOM 0 HD2 ARG A 7 2.318 -4.413 -10.418 1.00 4.12 H new ATOM 0 HD3 ARG A 7 0.998 -3.274 -10.239 1.00 4.12 H new ATOM 0 HE ARG A 7 3.166 -1.597 -10.458 1.00 0.11 H new ATOM 0 HH11 ARG A 7 2.123 -4.399 -12.378 1.00 52.20 H new ATOM 0 HH12 ARG A 7 2.769 -3.741 -13.885 1.00 52.20 H new ATOM 0 HH21 ARG A 7 3.975 -0.786 -12.474 1.00 60.54 H new ATOM 0 HH22 ARG A 7 3.785 -1.758 -13.937 1.00 60.54 H new ATOM 112 N MET A 8 5.860 -5.574 -7.264 1.00 43.12 N ATOM 113 CA MET A 8 7.168 -6.242 -7.325 1.00 54.02 C ATOM 114 C MET A 8 7.682 -6.686 -5.944 1.00 3.00 C ATOM 115 O MET A 8 8.873 -6.926 -5.749 1.00 35.21 O ATOM 116 CB MET A 8 8.194 -5.402 -8.109 1.00 34.34 C ATOM 117 CG MET A 8 7.626 -4.773 -9.381 1.00 75.24 C ATOM 118 SD MET A 8 8.821 -4.552 -10.727 1.00 64.34 S ATOM 119 CE MET A 8 9.862 -3.252 -10.020 1.00 0.01 C ATOM 0 H MET A 8 5.120 -6.143 -7.675 1.00 43.12 H new ATOM 0 HA MET A 8 7.025 -7.167 -7.884 1.00 54.02 H new ATOM 0 HB2 MET A 8 8.575 -4.612 -7.462 1.00 34.34 H new ATOM 0 HB3 MET A 8 9.042 -6.034 -8.373 1.00 34.34 H new ATOM 0 HG2 MET A 8 6.807 -5.395 -9.741 1.00 75.24 H new ATOM 0 HG3 MET A 8 7.201 -3.801 -9.129 1.00 75.24 H new ATOM 0 HE1 MET A 8 10.424 -2.763 -10.816 1.00 0.01 H new ATOM 0 HE2 MET A 8 9.234 -2.518 -9.515 1.00 0.01 H new ATOM 0 HE3 MET A 8 10.556 -3.691 -9.303 1.00 0.01 H new ATOM 127 N LEU A 9 6.782 -6.807 -4.969 1.00 74.41 N ATOM 128 CA LEU A 9 7.080 -7.303 -3.633 1.00 0.22 C ATOM 129 C LEU A 9 7.555 -8.762 -3.687 1.00 72.54 C ATOM 130 O LEU A 9 6.996 -9.544 -4.467 1.00 55.43 O ATOM 131 CB LEU A 9 5.785 -7.195 -2.803 1.00 73.44 C ATOM 132 CG LEU A 9 5.830 -6.437 -1.468 1.00 34.50 C ATOM 133 CD1 LEU A 9 6.599 -5.113 -1.523 1.00 1.21 C ATOM 134 CD2 LEU A 9 4.382 -6.141 -1.055 1.00 42.10 C ATOM 0 H LEU A 9 5.801 -6.555 -5.093 1.00 74.41 H new ATOM 0 HA LEU A 9 7.880 -6.716 -3.182 1.00 0.22 H new ATOM 0 HB2 LEU A 9 5.029 -6.720 -3.428 1.00 73.44 H new ATOM 0 HB3 LEU A 9 5.438 -8.208 -2.597 1.00 73.44 H new ATOM 0 HG LEU A 9 6.358 -7.069 -0.754 1.00 34.50 H new ATOM 0 HD11 LEU A 9 6.583 -4.642 -0.540 1.00 1.21 H new ATOM 0 HD12 LEU A 9 7.631 -5.304 -1.817 1.00 1.21 H new ATOM 0 HD13 LEU A 9 6.131 -4.450 -2.251 1.00 1.21 H new ATOM 0 HD21 LEU A 9 4.377 -5.602 -0.108 1.00 42.10 H new ATOM 0 HD22 LEU A 9 3.902 -5.533 -1.822 1.00 42.10 H new ATOM 0 HD23 LEU A 9 3.837 -7.078 -0.942 1.00 42.10 H new ATOM 145 N PRO A 10 8.502 -9.170 -2.822 1.00 24.10 N ATOM 146 CA PRO A 10 8.969 -10.549 -2.729 1.00 72.32 C ATOM 147 C PRO A 10 7.897 -11.443 -2.112 1.00 44.44 C ATOM 148 O PRO A 10 6.925 -10.966 -1.524 1.00 62.32 O ATOM 149 CB PRO A 10 10.206 -10.514 -1.827 1.00 43.43 C ATOM 150 CG PRO A 10 9.963 -9.292 -0.951 1.00 61.31 C ATOM 151 CD PRO A 10 9.189 -8.336 -1.849 1.00 72.32 C ATOM 0 HA PRO A 10 9.197 -10.954 -3.715 1.00 72.32 H new ATOM 0 HB2 PRO A 10 10.297 -11.423 -1.233 1.00 43.43 H new ATOM 0 HB3 PRO A 10 11.124 -10.418 -2.406 1.00 43.43 H new ATOM 0 HG2 PRO A 10 9.393 -9.549 -0.058 1.00 61.31 H new ATOM 0 HG3 PRO A 10 10.901 -8.851 -0.614 1.00 61.31 H new ATOM 0 HD2 PRO A 10 8.479 -7.745 -1.270 1.00 72.32 H new ATOM 0 HD3 PRO A 10 9.861 -7.633 -2.342 1.00 72.32 H new ATOM 156 N GLN A 11 8.123 -12.750 -2.168 1.00 4.11 N ATOM 157 CA GLN A 11 7.264 -13.729 -1.516 1.00 34.54 C ATOM 158 C GLN A 11 7.409 -13.667 0.003 1.00 12.02 C ATOM 159 O GLN A 11 6.419 -13.878 0.702 1.00 15.12 O ATOM 160 CB GLN A 11 7.586 -15.130 -2.074 1.00 51.03 C ATOM 161 CG GLN A 11 6.907 -16.322 -1.375 1.00 20.44 C ATOM 162 CD GLN A 11 5.402 -16.429 -1.598 1.00 42.43 C ATOM 163 OE1 GLN A 11 4.944 -17.075 -2.540 1.00 14.22 O ATOM 164 NE2 GLN A 11 4.567 -15.876 -0.735 1.00 72.11 N ATOM 0 H GLN A 11 8.910 -13.161 -2.669 1.00 4.11 H new ATOM 0 HA GLN A 11 6.220 -13.500 -1.732 1.00 34.54 H new ATOM 0 HB2 GLN A 11 7.308 -15.149 -3.128 1.00 51.03 H new ATOM 0 HB3 GLN A 11 8.665 -15.276 -2.026 1.00 51.03 H new ATOM 0 HG2 GLN A 11 7.377 -17.243 -1.722 1.00 20.44 H new ATOM 0 HG3 GLN A 11 7.096 -16.251 -0.304 1.00 20.44 H new ATOM 0 HE21 GLN A 11 4.929 -15.337 0.052 1.00 72.11 H new ATOM 0 HE22 GLN A 11 3.560 -15.988 -0.856 1.00 72.11 H new ATOM 171 N ALA A 12 8.607 -13.379 0.514 1.00 0.20 N ATOM 172 CA ALA A 12 8.884 -13.527 1.936 1.00 71.53 C ATOM 173 C ALA A 12 8.287 -12.407 2.780 1.00 34.52 C ATOM 174 O ALA A 12 7.910 -12.680 3.921 1.00 32.42 O ATOM 175 CB ALA A 12 10.390 -13.648 2.152 1.00 32.24 C ATOM 0 H ALA A 12 9.397 -13.043 -0.037 1.00 0.20 H new ATOM 0 HA ALA A 12 8.396 -14.440 2.275 1.00 71.53 H new ATOM 0 HB1 ALA A 12 10.597 -13.759 3.216 1.00 32.24 H new ATOM 0 HB2 ALA A 12 10.765 -14.520 1.617 1.00 32.24 H new ATOM 0 HB3 ALA A 12 10.884 -12.752 1.777 1.00 32.24 H new ATOM 181 N ALA A 13 8.173 -11.192 2.222 1.00 60.43 N ATOM 182 CA ALA A 13 7.971 -10.001 3.048 1.00 35.42 C ATOM 183 C ALA A 13 6.698 -10.138 3.879 1.00 1.14 C ATOM 184 O ALA A 13 5.647 -10.513 3.340 1.00 2.21 O ATOM 185 CB ALA A 13 7.934 -8.713 2.220 1.00 13.33 C ATOM 0 H ALA A 13 8.217 -11.014 1.219 1.00 60.43 H new ATOM 0 HA ALA A 13 8.829 -9.926 3.716 1.00 35.42 H new ATOM 0 HB1 ALA A 13 7.782 -7.860 2.881 1.00 13.33 H new ATOM 0 HB2 ALA A 13 8.878 -8.596 1.687 1.00 13.33 H new ATOM 0 HB3 ALA A 13 7.116 -8.766 1.502 1.00 13.33 H new ATOM 191 N THR A 14 6.805 -9.836 5.169 1.00 1.20 N ATOM 192 CA THR A 14 5.716 -9.828 6.124 1.00 3.40 C ATOM 193 C THR A 14 5.126 -8.430 6.225 1.00 52.14 C ATOM 194 O THR A 14 5.761 -7.442 5.837 1.00 72.54 O ATOM 195 CB THR A 14 6.276 -10.249 7.488 1.00 14.04 C ATOM 196 OG1 THR A 14 7.437 -9.498 7.781 1.00 73.21 O ATOM 197 CG2 THR A 14 6.613 -11.738 7.543 1.00 23.23 C ATOM 0 H THR A 14 7.697 -9.579 5.591 1.00 1.20 H new ATOM 0 HA THR A 14 4.932 -10.515 5.805 1.00 3.40 H new ATOM 0 HB THR A 14 5.500 -10.055 8.229 1.00 14.04 H new ATOM 0 HG1 THR A 14 7.790 -9.769 8.654 1.00 73.21 H new ATOM 0 HG21 THR A 14 7.006 -11.986 8.529 1.00 23.23 H new ATOM 0 HG22 THR A 14 5.712 -12.322 7.354 1.00 23.23 H new ATOM 0 HG23 THR A 14 7.362 -11.970 6.785 1.00 23.23 H new ATOM 205 N GLU A 15 3.917 -8.339 6.793 1.00 31.21 N ATOM 206 CA GLU A 15 3.293 -7.058 7.071 1.00 41.33 C ATOM 207 C GLU A 15 4.239 -6.172 7.895 1.00 55.21 C ATOM 208 O GLU A 15 4.294 -4.957 7.700 1.00 73.50 O ATOM 209 CB GLU A 15 1.935 -7.267 7.771 1.00 64.52 C ATOM 210 CG GLU A 15 0.847 -6.419 7.106 1.00 3.13 C ATOM 211 CD GLU A 15 -0.365 -6.161 8.009 1.00 63.51 C ATOM 212 OE1 GLU A 15 -1.276 -7.016 8.078 1.00 41.14 O ATOM 213 OE2 GLU A 15 -0.474 -5.074 8.610 1.00 75.14 O ATOM 0 H GLU A 15 3.357 -9.146 7.067 1.00 31.21 H new ATOM 0 HA GLU A 15 3.099 -6.540 6.132 1.00 41.33 H new ATOM 0 HB2 GLU A 15 1.658 -8.320 7.730 1.00 64.52 H new ATOM 0 HB3 GLU A 15 2.018 -7.000 8.824 1.00 64.52 H new ATOM 0 HG2 GLU A 15 1.276 -5.463 6.805 1.00 3.13 H new ATOM 0 HG3 GLU A 15 0.513 -6.919 6.197 1.00 3.13 H new ATOM 218 N ASP A 16 5.018 -6.788 8.785 1.00 52.22 N ATOM 219 CA ASP A 16 5.911 -6.100 9.700 1.00 43.15 C ATOM 220 C ASP A 16 7.194 -5.638 9.022 1.00 72.14 C ATOM 221 O ASP A 16 7.597 -4.496 9.237 1.00 22.42 O ATOM 222 CB ASP A 16 6.167 -6.931 10.958 1.00 42.15 C ATOM 223 CG ASP A 16 5.320 -6.346 12.083 1.00 40.03 C ATOM 224 OD1 ASP A 16 4.105 -6.657 12.116 1.00 34.41 O ATOM 225 OD2 ASP A 16 5.806 -5.496 12.861 1.00 62.45 O ATOM 0 H ASP A 16 5.041 -7.803 8.887 1.00 52.22 H new ATOM 0 HA ASP A 16 5.407 -5.189 10.023 1.00 43.15 H new ATOM 0 HB2 ASP A 16 5.905 -7.975 10.786 1.00 42.15 H new ATOM 0 HB3 ASP A 16 7.224 -6.907 11.223 1.00 42.15 H new ATOM 229 N ASP A 17 7.776 -6.447 8.128 1.00 24.54 N ATOM 230 CA ASP A 17 8.947 -6.058 7.331 1.00 24.53 C ATOM 231 C ASP A 17 8.677 -4.794 6.524 1.00 43.03 C ATOM 232 O ASP A 17 9.611 -4.062 6.193 1.00 24.53 O ATOM 233 CB ASP A 17 9.396 -7.164 6.363 1.00 41.43 C ATOM 234 CG ASP A 17 10.393 -8.158 6.956 1.00 3.01 C ATOM 235 OD1 ASP A 17 10.501 -8.341 8.193 1.00 75.21 O ATOM 236 OD2 ASP A 17 11.188 -8.694 6.156 1.00 1.13 O ATOM 0 H ASP A 17 7.447 -7.393 7.936 1.00 24.54 H new ATOM 0 HA ASP A 17 9.744 -5.877 8.052 1.00 24.53 H new ATOM 0 HB2 ASP A 17 8.516 -7.710 6.022 1.00 41.43 H new ATOM 0 HB3 ASP A 17 9.844 -6.700 5.484 1.00 41.43 H new ATOM 240 N ILE A 18 7.416 -4.531 6.199 1.00 52.02 N ATOM 241 CA ILE A 18 6.996 -3.360 5.451 1.00 2.04 C ATOM 242 C ILE A 18 6.587 -2.246 6.430 1.00 40.22 C ATOM 243 O ILE A 18 6.884 -1.078 6.168 1.00 35.24 O ATOM 244 CB ILE A 18 5.912 -3.813 4.452 1.00 22.22 C ATOM 245 CG1 ILE A 18 6.526 -4.839 3.465 1.00 35.13 C ATOM 246 CG2 ILE A 18 5.262 -2.637 3.702 1.00 55.24 C ATOM 247 CD1 ILE A 18 5.563 -5.311 2.379 1.00 51.02 C ATOM 0 H ILE A 18 6.642 -5.143 6.456 1.00 52.02 H new ATOM 0 HA ILE A 18 7.796 -2.917 4.858 1.00 2.04 H new ATOM 0 HB ILE A 18 5.108 -4.284 5.018 1.00 22.22 H new ATOM 0 HG12 ILE A 18 7.401 -4.393 2.991 1.00 35.13 H new ATOM 0 HG13 ILE A 18 6.875 -5.705 4.028 1.00 35.13 H new ATOM 0 HG21 ILE A 18 4.507 -3.017 3.013 1.00 55.24 H new ATOM 0 HG22 ILE A 18 4.793 -1.963 4.419 1.00 55.24 H new ATOM 0 HG23 ILE A 18 6.025 -2.096 3.142 1.00 55.24 H new ATOM 0 HD11 ILE A 18 6.069 -6.026 1.730 1.00 51.02 H new ATOM 0 HD12 ILE A 18 4.699 -5.788 2.841 1.00 51.02 H new ATOM 0 HD13 ILE A 18 5.233 -4.456 1.789 1.00 51.02 H new ATOM 258 N ARG A 19 5.999 -2.573 7.589 1.00 34.13 N ATOM 259 CA ARG A 19 5.700 -1.598 8.648 1.00 2.13 C ATOM 260 C ARG A 19 6.977 -0.894 9.088 1.00 41.11 C ATOM 261 O ARG A 19 6.919 0.285 9.444 1.00 24.31 O ATOM 262 CB ARG A 19 5.047 -2.275 9.864 1.00 62.12 C ATOM 263 CG ARG A 19 3.531 -2.505 9.759 1.00 42.21 C ATOM 264 CD ARG A 19 3.066 -3.430 10.890 1.00 60.44 C ATOM 265 NE ARG A 19 1.600 -3.488 10.982 1.00 41.24 N ATOM 266 CZ ARG A 19 0.873 -4.524 11.419 1.00 52.12 C ATOM 267 NH1 ARG A 19 1.453 -5.631 11.880 1.00 3.11 N ATOM 268 NH2 ARG A 19 -0.449 -4.429 11.410 1.00 74.42 N ATOM 0 H ARG A 19 5.716 -3.525 7.820 1.00 34.13 H new ATOM 0 HA ARG A 19 4.999 -0.870 8.240 1.00 2.13 H new ATOM 0 HB2 ARG A 19 5.532 -3.237 10.026 1.00 62.12 H new ATOM 0 HB3 ARG A 19 5.244 -1.666 10.746 1.00 62.12 H new ATOM 0 HG2 ARG A 19 3.005 -1.552 9.817 1.00 42.21 H new ATOM 0 HG3 ARG A 19 3.287 -2.946 8.793 1.00 42.21 H new ATOM 0 HD2 ARG A 19 3.459 -4.433 10.724 1.00 60.44 H new ATOM 0 HD3 ARG A 19 3.476 -3.080 11.837 1.00 60.44 H new ATOM 0 HE ARG A 19 1.087 -2.658 10.684 1.00 41.24 H new ATOM 0 HH11 ARG A 19 2.470 -5.701 11.905 1.00 3.11 H new ATOM 0 HH12 ARG A 19 0.880 -6.408 12.208 1.00 3.11 H new ATOM 0 HH21 ARG A 19 -0.897 -3.576 11.074 1.00 74.42 H new ATOM 0 HH22 ARG A 19 -1.019 -5.208 11.739 1.00 74.42 H new ATOM 279 N GLY A 20 8.126 -1.567 9.069 1.00 64.32 N ATOM 280 CA GLY A 20 9.374 -0.913 9.414 1.00 73.41 C ATOM 281 C GLY A 20 9.753 0.162 8.399 1.00 4.33 C ATOM 282 O GLY A 20 10.247 1.207 8.821 1.00 21.32 O ATOM 0 H GLY A 20 8.213 -2.553 8.821 1.00 64.32 H new ATOM 0 HA2 GLY A 20 9.287 -0.464 10.403 1.00 73.41 H new ATOM 0 HA3 GLY A 20 10.170 -1.656 9.470 1.00 73.41 H new ATOM 286 N GLN A 21 9.489 -0.029 7.097 1.00 20.41 N ATOM 287 CA GLN A 21 9.783 0.976 6.068 1.00 12.24 C ATOM 288 C GLN A 21 8.818 2.157 6.177 1.00 32.33 C ATOM 289 O GLN A 21 9.165 3.265 5.772 1.00 2.20 O ATOM 290 CB GLN A 21 9.675 0.363 4.656 1.00 22.13 C ATOM 291 CG GLN A 21 10.952 -0.317 4.120 1.00 63.41 C ATOM 292 CD GLN A 21 11.589 0.440 2.945 1.00 32.50 C ATOM 293 OE1 GLN A 21 11.663 -0.051 1.824 1.00 43.01 O ATOM 294 NE2 GLN A 21 12.047 1.661 3.141 1.00 40.43 N ATOM 0 H GLN A 21 9.067 -0.882 6.731 1.00 20.41 H new ATOM 0 HA GLN A 21 10.803 1.326 6.230 1.00 12.24 H new ATOM 0 HB2 GLN A 21 8.869 -0.371 4.660 1.00 22.13 H new ATOM 0 HB3 GLN A 21 9.386 1.150 3.960 1.00 22.13 H new ATOM 0 HG2 GLN A 21 11.679 -0.400 4.928 1.00 63.41 H new ATOM 0 HG3 GLN A 21 10.711 -1.332 3.803 1.00 63.41 H new ATOM 0 HE21 GLN A 21 11.993 2.083 4.068 1.00 40.43 H new ATOM 0 HE22 GLN A 21 12.456 2.183 2.366 1.00 40.43 H new ATOM 301 N LEU A 22 7.612 1.925 6.698 1.00 63.34 N ATOM 302 CA LEU A 22 6.635 2.971 6.950 1.00 0.30 C ATOM 303 C LEU A 22 7.109 3.789 8.143 1.00 62.21 C ATOM 304 O LEU A 22 7.379 4.981 8.000 1.00 42.32 O ATOM 305 CB LEU A 22 5.236 2.366 7.152 1.00 2.04 C ATOM 306 CG LEU A 22 4.708 1.722 5.850 1.00 32.55 C ATOM 307 CD1 LEU A 22 3.795 0.522 6.136 1.00 72.53 C ATOM 308 CD2 LEU A 22 4.014 2.790 5.009 1.00 43.11 C ATOM 0 H LEU A 22 7.288 0.993 6.958 1.00 63.34 H new ATOM 0 HA LEU A 22 6.550 3.637 6.092 1.00 0.30 H new ATOM 0 HB2 LEU A 22 5.273 1.616 7.942 1.00 2.04 H new ATOM 0 HB3 LEU A 22 4.546 3.143 7.482 1.00 2.04 H new ATOM 0 HG LEU A 22 5.549 1.324 5.282 1.00 32.55 H new ATOM 0 HD11 LEU A 22 3.445 0.098 5.195 1.00 72.53 H new ATOM 0 HD12 LEU A 22 4.351 -0.234 6.690 1.00 72.53 H new ATOM 0 HD13 LEU A 22 2.939 0.849 6.727 1.00 72.53 H new ATOM 0 HD21 LEU A 22 3.639 2.342 4.089 1.00 43.11 H new ATOM 0 HD22 LEU A 22 3.182 3.213 5.572 1.00 43.11 H new ATOM 0 HD23 LEU A 22 4.725 3.579 4.765 1.00 43.11 H new ATOM 319 N GLN A 23 7.297 3.172 9.307 1.00 52.33 N ATOM 320 CA GLN A 23 7.724 3.942 10.475 1.00 12.02 C ATOM 321 C GLN A 23 9.106 4.557 10.283 1.00 3.34 C ATOM 322 O GLN A 23 9.438 5.519 10.975 1.00 43.42 O ATOM 323 CB GLN A 23 7.625 3.106 11.751 1.00 13.21 C ATOM 324 CG GLN A 23 6.149 3.111 12.194 1.00 54.24 C ATOM 325 CD GLN A 23 5.908 2.556 13.591 1.00 33.11 C ATOM 326 OE1 GLN A 23 6.706 2.762 14.505 1.00 55.24 O ATOM 327 NE2 GLN A 23 4.775 1.912 13.811 1.00 40.30 N ATOM 0 H GLN A 23 7.166 2.173 9.467 1.00 52.33 H new ATOM 0 HA GLN A 23 7.036 4.780 10.587 1.00 12.02 H new ATOM 0 HB2 GLN A 23 7.967 2.087 11.570 1.00 13.21 H new ATOM 0 HB3 GLN A 23 8.261 3.522 12.532 1.00 13.21 H new ATOM 0 HG2 GLN A 23 5.774 4.134 12.153 1.00 54.24 H new ATOM 0 HG3 GLN A 23 5.566 2.529 11.480 1.00 54.24 H new ATOM 0 HE21 GLN A 23 4.124 1.749 13.043 1.00 40.30 H new ATOM 0 HE22 GLN A 23 4.552 1.578 14.749 1.00 40.30 H new ATOM 334 N SER A 24 9.865 4.106 9.283 1.00 42.33 N ATOM 335 CA SER A 24 11.055 4.791 8.846 1.00 24.50 C ATOM 336 C SER A 24 10.750 6.245 8.476 1.00 44.31 C ATOM 337 O SER A 24 11.601 7.084 8.791 1.00 64.32 O ATOM 338 CB SER A 24 11.703 4.045 7.674 1.00 60.41 C ATOM 339 OG SER A 24 13.098 4.267 7.640 1.00 43.01 O ATOM 0 H SER A 24 9.661 3.254 8.761 1.00 42.33 H new ATOM 0 HA SER A 24 11.764 4.806 9.674 1.00 24.50 H new ATOM 0 HB2 SER A 24 11.503 2.977 7.763 1.00 60.41 H new ATOM 0 HB3 SER A 24 11.256 4.375 6.736 1.00 60.41 H new ATOM 0 HG SER A 24 13.489 3.780 6.885 1.00 43.01 H new ATOM 344 N HIS A 25 9.604 6.608 7.855 1.00 41.45 N ATOM 345 CA HIS A 25 9.596 7.920 7.201 1.00 33.10 C ATOM 346 C HIS A 25 8.676 8.865 7.995 1.00 3.32 C ATOM 347 O HIS A 25 8.661 10.071 7.745 1.00 20.22 O ATOM 348 CB HIS A 25 9.216 7.794 5.712 1.00 52.41 C ATOM 349 CG HIS A 25 7.821 8.116 5.331 1.00 60.52 C ATOM 350 ND1 HIS A 25 7.307 9.387 5.241 1.00 62.12 N ATOM 351 CD2 HIS A 25 6.960 7.275 4.725 1.00 63.43 C ATOM 352 CE1 HIS A 25 6.103 9.291 4.666 1.00 61.55 C ATOM 353 NE2 HIS A 25 5.857 8.024 4.317 1.00 2.23 N ATOM 0 H HIS A 25 8.746 6.060 7.797 1.00 41.45 H new ATOM 0 HA HIS A 25 10.596 8.353 7.206 1.00 33.10 H new ATOM 0 HB2 HIS A 25 9.879 8.443 5.140 1.00 52.41 H new ATOM 0 HB3 HIS A 25 9.423 6.771 5.398 1.00 52.41 H new ATOM 0 HD1 HIS A 25 7.760 10.245 5.555 1.00 62.12 H new ATOM 0 HD2 HIS A 25 7.099 6.214 4.581 1.00 63.43 H new ATOM 0 HE1 HIS A 25 5.427 10.118 4.507 1.00 61.55 H new ATOM 360 N GLY A 26 7.915 8.336 8.960 1.00 75.51 N ATOM 361 CA GLY A 26 7.029 9.118 9.810 1.00 74.24 C ATOM 362 C GLY A 26 5.576 8.729 9.578 1.00 34.42 C ATOM 363 O GLY A 26 4.693 9.590 9.613 1.00 75.52 O ATOM 0 H GLY A 26 7.902 7.338 9.170 1.00 75.51 H new ATOM 0 HA2 GLY A 26 7.290 8.961 10.857 1.00 74.24 H new ATOM 0 HA3 GLY A 26 7.163 10.180 9.604 1.00 74.24 H new ATOM 367 N VAL A 27 5.343 7.450 9.274 1.00 15.24 N ATOM 368 CA VAL A 27 4.042 6.898 8.939 1.00 33.44 C ATOM 369 C VAL A 27 3.802 5.576 9.689 1.00 51.43 C ATOM 370 O VAL A 27 4.513 4.597 9.504 1.00 33.32 O ATOM 371 CB VAL A 27 3.920 6.761 7.410 1.00 75.23 C ATOM 372 CG1 VAL A 27 3.510 8.084 6.745 1.00 20.35 C ATOM 373 CG2 VAL A 27 5.106 6.184 6.684 1.00 75.24 C ATOM 0 H VAL A 27 6.086 6.751 9.256 1.00 15.24 H new ATOM 0 HA VAL A 27 3.254 7.576 9.267 1.00 33.44 H new ATOM 0 HB VAL A 27 3.131 6.016 7.308 1.00 75.23 H new ATOM 0 HG11 VAL A 27 3.436 7.942 5.667 1.00 20.35 H new ATOM 0 HG12 VAL A 27 2.544 8.404 7.136 1.00 20.35 H new ATOM 0 HG13 VAL A 27 4.259 8.846 6.960 1.00 20.35 H new ATOM 0 HG21 VAL A 27 4.893 6.141 5.616 1.00 75.24 H new ATOM 0 HG22 VAL A 27 5.979 6.814 6.855 1.00 75.24 H new ATOM 0 HG23 VAL A 27 5.306 5.179 7.055 1.00 75.24 H new ATOM 383 N GLN A 28 2.767 5.542 10.528 1.00 44.41 N ATOM 384 CA GLN A 28 2.327 4.391 11.326 1.00 71.24 C ATOM 385 C GLN A 28 1.632 3.284 10.519 1.00 72.31 C ATOM 386 O GLN A 28 1.354 2.227 11.079 1.00 61.34 O ATOM 387 CB GLN A 28 1.342 4.877 12.409 1.00 40.32 C ATOM 388 CG GLN A 28 0.047 5.518 11.859 1.00 41.41 C ATOM 389 CD GLN A 28 0.275 6.936 11.343 1.00 22.13 C ATOM 390 OE1 GLN A 28 0.931 7.757 11.978 1.00 20.32 O ATOM 391 NE2 GLN A 28 -0.163 7.256 10.141 1.00 41.24 N ATOM 0 H GLN A 28 2.178 6.361 10.680 1.00 44.41 H new ATOM 0 HA GLN A 28 3.234 3.957 11.747 1.00 71.24 H new ATOM 0 HB2 GLN A 28 1.073 4.032 13.043 1.00 40.32 H new ATOM 0 HB3 GLN A 28 1.850 5.603 13.044 1.00 40.32 H new ATOM 0 HG2 GLN A 28 -0.347 4.900 11.053 1.00 41.41 H new ATOM 0 HG3 GLN A 28 -0.708 5.537 12.645 1.00 41.41 H new ATOM 0 HE21 GLN A 28 -0.709 6.584 9.602 1.00 41.24 H new ATOM 0 HE22 GLN A 28 0.044 8.175 9.751 1.00 41.24 H new ATOM 398 N ALA A 29 1.280 3.562 9.259 1.00 32.34 N ATOM 399 CA ALA A 29 0.377 2.809 8.396 1.00 52.23 C ATOM 400 C ALA A 29 -0.925 2.343 9.060 1.00 41.13 C ATOM 401 O ALA A 29 -0.976 1.277 9.674 1.00 71.32 O ATOM 402 CB ALA A 29 1.108 1.678 7.698 1.00 14.42 C ATOM 0 H ALA A 29 1.651 4.385 8.784 1.00 32.34 H new ATOM 0 HA ALA A 29 0.040 3.521 7.642 1.00 52.23 H new ATOM 0 HB1 ALA A 29 0.411 1.133 7.061 1.00 14.42 H new ATOM 0 HB2 ALA A 29 1.913 2.087 7.088 1.00 14.42 H new ATOM 0 HB3 ALA A 29 1.525 1.000 8.443 1.00 14.42 H new ATOM 408 N ARG A 30 -1.987 3.140 8.907 1.00 35.35 N ATOM 409 CA ARG A 30 -3.278 2.897 9.543 1.00 64.53 C ATOM 410 C ARG A 30 -3.959 1.627 9.034 1.00 74.40 C ATOM 411 O ARG A 30 -4.657 0.986 9.821 1.00 35.23 O ATOM 412 CB ARG A 30 -4.194 4.123 9.365 1.00 23.13 C ATOM 413 CG ARG A 30 -5.339 4.098 10.389 1.00 54.12 C ATOM 414 CD ARG A 30 -6.680 3.630 9.820 1.00 23.53 C ATOM 415 NE ARG A 30 -7.693 3.623 10.889 1.00 0.31 N ATOM 416 CZ ARG A 30 -8.970 3.988 10.740 1.00 40.42 C ATOM 417 NH1 ARG A 30 -9.508 4.097 9.533 1.00 74.41 N ATOM 418 NH2 ARG A 30 -9.701 4.265 11.811 1.00 33.15 N ATOM 0 H ARG A 30 -1.970 3.981 8.330 1.00 35.35 H new ATOM 0 HA ARG A 30 -3.091 2.739 10.605 1.00 64.53 H new ATOM 0 HB2 ARG A 30 -3.613 5.038 9.484 1.00 23.13 H new ATOM 0 HB3 ARG A 30 -4.603 4.134 8.355 1.00 23.13 H new ATOM 0 HG2 ARG A 30 -5.059 3.443 11.214 1.00 54.12 H new ATOM 0 HG3 ARG A 30 -5.462 5.098 10.804 1.00 54.12 H new ATOM 0 HD2 ARG A 30 -6.994 4.290 9.011 1.00 23.53 H new ATOM 0 HD3 ARG A 30 -6.578 2.632 9.395 1.00 23.53 H new ATOM 0 HE ARG A 30 -7.397 3.316 11.815 1.00 0.31 H new ATOM 0 HH11 ARG A 30 -8.946 3.901 8.705 1.00 74.41 H new ATOM 0 HH12 ARG A 30 -10.484 4.376 9.433 1.00 74.41 H new ATOM 0 HH21 ARG A 30 -9.288 4.199 12.741 1.00 33.15 H new ATOM 0 HH22 ARG A 30 -10.676 4.544 11.705 1.00 33.15 H new ATOM 429 N GLU A 31 -3.780 1.257 7.766 1.00 1.02 N ATOM 430 CA GLU A 31 -4.316 0.027 7.202 1.00 53.00 C ATOM 431 C GLU A 31 -3.288 -0.535 6.227 1.00 71.23 C ATOM 432 O GLU A 31 -2.589 0.227 5.556 1.00 55.11 O ATOM 433 CB GLU A 31 -5.605 0.330 6.431 1.00 14.15 C ATOM 434 CG GLU A 31 -6.548 -0.858 6.238 1.00 73.40 C ATOM 435 CD GLU A 31 -7.501 -1.024 7.416 1.00 14.14 C ATOM 436 OE1 GLU A 31 -8.477 -0.248 7.516 1.00 54.34 O ATOM 437 OE2 GLU A 31 -7.300 -1.989 8.200 1.00 32.31 O ATOM 0 H GLU A 31 -3.250 1.814 7.096 1.00 1.02 H new ATOM 0 HA GLU A 31 -4.529 -0.685 8.000 1.00 53.00 H new ATOM 0 HB2 GLU A 31 -6.145 1.119 6.955 1.00 14.15 H new ATOM 0 HB3 GLU A 31 -5.338 0.723 5.450 1.00 14.15 H new ATOM 0 HG2 GLU A 31 -7.123 -0.720 5.322 1.00 73.40 H new ATOM 0 HG3 GLU A 31 -5.963 -1.769 6.113 1.00 73.40 H new ATOM 442 N VAL A 32 -3.222 -1.859 6.113 1.00 31.22 N ATOM 443 CA VAL A 32 -2.239 -2.588 5.318 1.00 12.32 C ATOM 444 C VAL A 32 -2.836 -3.962 4.966 1.00 43.43 C ATOM 445 O VAL A 32 -3.581 -4.517 5.778 1.00 34.55 O ATOM 446 CB VAL A 32 -0.962 -2.786 6.161 1.00 71.11 C ATOM 447 CG1 VAL A 32 0.109 -3.454 5.308 1.00 44.23 C ATOM 448 CG2 VAL A 32 -0.327 -1.536 6.795 1.00 62.20 C ATOM 0 H VAL A 32 -3.878 -2.477 6.591 1.00 31.22 H new ATOM 0 HA VAL A 32 -1.993 -2.038 4.409 1.00 12.32 H new ATOM 0 HB VAL A 32 -1.309 -3.392 6.998 1.00 71.11 H new ATOM 0 HG11 VAL A 32 1.012 -3.595 5.902 1.00 44.23 H new ATOM 0 HG12 VAL A 32 -0.253 -4.423 4.963 1.00 44.23 H new ATOM 0 HG13 VAL A 32 0.335 -2.823 4.448 1.00 44.23 H new ATOM 0 HG21 VAL A 32 0.561 -1.824 7.357 1.00 62.20 H new ATOM 0 HG22 VAL A 32 -0.047 -0.832 6.011 1.00 62.20 H new ATOM 0 HG23 VAL A 32 -1.044 -1.064 7.467 1.00 62.20 H new ATOM 458 N ARG A 33 -2.509 -4.552 3.803 1.00 44.40 N ATOM 459 CA ARG A 33 -3.003 -5.879 3.398 1.00 51.01 C ATOM 460 C ARG A 33 -1.956 -6.676 2.609 1.00 2.34 C ATOM 461 O ARG A 33 -1.921 -6.563 1.383 1.00 14.42 O ATOM 462 CB ARG A 33 -4.319 -5.716 2.609 1.00 71.53 C ATOM 463 CG ARG A 33 -5.480 -5.256 3.504 1.00 32.13 C ATOM 464 CD ARG A 33 -6.824 -5.327 2.786 1.00 32.54 C ATOM 465 NE ARG A 33 -7.871 -4.711 3.610 1.00 75.21 N ATOM 466 CZ ARG A 33 -9.052 -4.253 3.188 1.00 73.53 C ATOM 467 NH1 ARG A 33 -9.473 -4.515 1.955 1.00 11.25 N ATOM 468 NH2 ARG A 33 -9.793 -3.529 4.011 1.00 33.13 N ATOM 0 H ARG A 33 -1.892 -4.120 3.115 1.00 44.40 H new ATOM 0 HA ARG A 33 -3.201 -6.463 4.297 1.00 51.01 H new ATOM 0 HB2 ARG A 33 -4.172 -4.993 1.807 1.00 71.53 H new ATOM 0 HB3 ARG A 33 -4.579 -6.665 2.139 1.00 71.53 H new ATOM 0 HG2 ARG A 33 -5.515 -5.877 4.399 1.00 32.13 H new ATOM 0 HG3 ARG A 33 -5.299 -4.233 3.833 1.00 32.13 H new ATOM 0 HD2 ARG A 33 -6.759 -4.816 1.825 1.00 32.54 H new ATOM 0 HD3 ARG A 33 -7.079 -6.366 2.578 1.00 32.54 H new ATOM 0 HE ARG A 33 -7.676 -4.624 4.607 1.00 75.21 H new ATOM 0 HH11 ARG A 33 -8.893 -5.069 1.325 1.00 11.25 H new ATOM 0 HH12 ARG A 33 -10.376 -4.162 1.639 1.00 11.25 H new ATOM 0 HH21 ARG A 33 -9.460 -3.328 4.954 1.00 33.13 H new ATOM 0 HH22 ARG A 33 -10.697 -3.172 3.703 1.00 33.13 H new ATOM 479 N LEU A 34 -1.137 -7.501 3.284 1.00 20.52 N ATOM 480 CA LEU A 34 -0.030 -8.260 2.673 1.00 11.13 C ATOM 481 C LEU A 34 -0.315 -9.778 2.562 1.00 0.41 C ATOM 482 O LEU A 34 -1.426 -10.209 2.855 1.00 3.02 O ATOM 483 CB LEU A 34 1.249 -7.970 3.478 1.00 44.23 C ATOM 484 CG LEU A 34 2.521 -7.720 2.642 1.00 75.42 C ATOM 485 CD1 LEU A 34 3.717 -7.965 3.539 1.00 60.42 C ATOM 486 CD2 LEU A 34 2.760 -8.588 1.413 1.00 41.42 C ATOM 0 H LEU A 34 -1.227 -7.662 4.287 1.00 20.52 H new ATOM 0 HA LEU A 34 0.093 -7.930 1.642 1.00 11.13 H new ATOM 0 HB2 LEU A 34 1.071 -7.097 4.106 1.00 44.23 H new ATOM 0 HB3 LEU A 34 1.435 -8.811 4.146 1.00 44.23 H new ATOM 0 HG LEU A 34 2.383 -6.705 2.270 1.00 75.42 H new ATOM 0 HD11 LEU A 34 4.635 -7.796 2.976 1.00 60.42 H new ATOM 0 HD12 LEU A 34 3.681 -7.282 4.388 1.00 60.42 H new ATOM 0 HD13 LEU A 34 3.697 -8.993 3.900 1.00 60.42 H new ATOM 0 HD21 LEU A 34 3.693 -8.291 0.933 1.00 41.42 H new ATOM 0 HD22 LEU A 34 2.823 -9.634 1.713 1.00 41.42 H new ATOM 0 HD23 LEU A 34 1.935 -8.461 0.712 1.00 41.42 H new ATOM 497 N MET A 35 0.672 -10.606 2.164 1.00 34.43 N ATOM 498 CA MET A 35 0.495 -11.982 1.659 1.00 13.15 C ATOM 499 C MET A 35 0.000 -13.017 2.674 1.00 11.43 C ATOM 500 O MET A 35 -0.397 -14.120 2.291 1.00 33.14 O ATOM 501 CB MET A 35 1.768 -12.577 1.024 1.00 43.30 C ATOM 502 CG MET A 35 2.299 -11.807 -0.172 1.00 13.45 C ATOM 503 SD MET A 35 3.537 -12.683 -1.160 1.00 61.21 S ATOM 504 CE MET A 35 2.454 -13.823 -2.036 1.00 72.30 C ATOM 0 H MET A 35 1.652 -10.323 2.187 1.00 34.43 H new ATOM 0 HA MET A 35 -0.285 -11.820 0.916 1.00 13.15 H new ATOM 0 HB2 MET A 35 2.548 -12.625 1.784 1.00 43.30 H new ATOM 0 HB3 MET A 35 1.559 -13.602 0.716 1.00 43.30 H new ATOM 0 HG2 MET A 35 1.461 -11.545 -0.817 1.00 13.45 H new ATOM 0 HG3 MET A 35 2.734 -10.872 0.181 1.00 13.45 H new ATOM 0 HE1 MET A 35 3.028 -14.364 -2.788 1.00 72.30 H new ATOM 0 HE2 MET A 35 2.023 -14.532 -1.329 1.00 72.30 H new ATOM 0 HE3 MET A 35 1.654 -13.264 -2.522 1.00 72.30 H new ATOM 512 N ARG A 36 -0.036 -12.660 3.949 1.00 0.23 N ATOM 513 CA ARG A 36 -0.547 -13.450 5.070 1.00 4.31 C ATOM 514 C ARG A 36 -1.877 -14.118 4.711 1.00 72.14 C ATOM 515 O ARG A 36 -1.966 -15.345 4.734 1.00 41.43 O ATOM 516 CB ARG A 36 -0.719 -12.530 6.308 1.00 62.13 C ATOM 517 CG ARG A 36 -1.036 -11.074 5.914 1.00 3.02 C ATOM 518 CD ARG A 36 -1.786 -10.246 6.957 1.00 34.14 C ATOM 519 NE ARG A 36 -1.137 -10.204 8.281 1.00 15.24 N ATOM 520 CZ ARG A 36 -1.681 -9.654 9.382 1.00 51.33 C ATOM 521 NH1 ARG A 36 -2.967 -9.304 9.436 1.00 12.42 N ATOM 522 NH2 ARG A 36 -0.933 -9.446 10.456 1.00 20.55 N ATOM 0 H ARG A 36 0.313 -11.751 4.253 1.00 0.23 H new ATOM 0 HA ARG A 36 0.168 -14.240 5.300 1.00 4.31 H new ATOM 0 HB2 ARG A 36 -1.521 -12.917 6.937 1.00 62.13 H new ATOM 0 HB3 ARG A 36 0.193 -12.553 6.904 1.00 62.13 H new ATOM 0 HG2 ARG A 36 -0.098 -10.568 5.684 1.00 3.02 H new ATOM 0 HG3 ARG A 36 -1.625 -11.087 4.997 1.00 3.02 H new ATOM 0 HD2 ARG A 36 -1.893 -9.227 6.586 1.00 34.14 H new ATOM 0 HD3 ARG A 36 -2.791 -10.651 7.071 1.00 34.14 H new ATOM 0 HE ARG A 36 -0.210 -10.621 8.368 1.00 15.24 H new ATOM 0 HH11 ARG A 36 -3.570 -9.451 8.627 1.00 12.42 H new ATOM 0 HH12 ARG A 36 -3.347 -8.889 10.287 1.00 12.42 H new ATOM 0 HH21 ARG A 36 0.054 -9.703 10.448 1.00 20.55 H new ATOM 0 HH22 ARG A 36 -1.344 -9.029 11.291 1.00 20.55 H new ATOM 533 N ASN A 37 -2.876 -13.321 4.338 1.00 55.01 N ATOM 534 CA ASN A 37 -4.294 -13.677 4.274 1.00 42.22 C ATOM 535 C ASN A 37 -4.645 -14.566 3.087 1.00 43.13 C ATOM 536 O ASN A 37 -5.285 -14.149 2.110 1.00 11.02 O ATOM 537 CB ASN A 37 -5.121 -12.390 4.229 1.00 24.51 C ATOM 538 CG ASN A 37 -6.097 -12.284 5.384 1.00 1.14 C ATOM 539 OD1 ASN A 37 -5.816 -12.705 6.496 1.00 35.24 O ATOM 540 ND2 ASN A 37 -7.248 -11.693 5.155 1.00 24.23 N ATOM 0 H ASN A 37 -2.710 -12.355 4.056 1.00 55.01 H new ATOM 0 HA ASN A 37 -4.525 -14.261 5.165 1.00 42.22 H new ATOM 0 HB2 ASN A 37 -4.450 -11.531 4.245 1.00 24.51 H new ATOM 0 HB3 ASN A 37 -5.671 -12.348 3.289 1.00 24.51 H new ATOM 0 HD21 ASN A 37 -7.923 -11.580 5.912 1.00 24.23 H new ATOM 0 HD22 ASN A 37 -7.467 -11.347 4.221 1.00 24.23 H new ATOM 546 N LYS A 38 -4.213 -15.819 3.120 1.00 14.22 N ATOM 547 CA LYS A 38 -4.252 -16.633 1.918 1.00 35.44 C ATOM 548 C LYS A 38 -5.660 -17.004 1.462 1.00 62.32 C ATOM 549 O LYS A 38 -5.783 -17.664 0.428 1.00 62.40 O ATOM 550 CB LYS A 38 -3.369 -17.872 2.101 1.00 75.13 C ATOM 551 CG LYS A 38 -2.504 -18.068 0.847 1.00 31.35 C ATOM 552 CD LYS A 38 -1.412 -16.987 0.688 1.00 31.42 C ATOM 553 CE LYS A 38 -0.011 -17.385 1.179 1.00 4.44 C ATOM 554 NZ LYS A 38 0.067 -17.632 2.631 1.00 13.14 N ATOM 0 H LYS A 38 -3.840 -16.284 3.947 1.00 14.22 H new ATOM 0 HA LYS A 38 -3.853 -16.020 1.109 1.00 35.44 H new ATOM 0 HB2 LYS A 38 -2.735 -17.754 2.980 1.00 75.13 H new ATOM 0 HB3 LYS A 38 -3.989 -18.753 2.271 1.00 75.13 H new ATOM 0 HG2 LYS A 38 -2.032 -19.049 0.889 1.00 31.35 H new ATOM 0 HG3 LYS A 38 -3.145 -18.060 -0.034 1.00 31.35 H new ATOM 0 HD2 LYS A 38 -1.345 -16.715 -0.365 1.00 31.42 H new ATOM 0 HD3 LYS A 38 -1.727 -16.094 1.228 1.00 31.42 H new ATOM 0 HE2 LYS A 38 0.307 -18.284 0.650 1.00 4.44 H new ATOM 0 HE3 LYS A 38 0.693 -16.595 0.917 1.00 4.44 H new ATOM 0 HZ1 LYS A 38 1.040 -17.895 2.887 1.00 13.14 H new ATOM 0 HZ2 LYS A 38 -0.205 -16.770 3.145 1.00 13.14 H new ATOM 0 HZ3 LYS A 38 -0.579 -18.406 2.887 1.00 13.14 H new ATOM 564 N SER A 39 -6.699 -16.573 2.171 1.00 75.12 N ATOM 565 CA SER A 39 -8.065 -16.757 1.718 1.00 42.42 C ATOM 566 C SER A 39 -8.615 -15.437 1.187 1.00 75.41 C ATOM 567 O SER A 39 -9.146 -15.422 0.077 1.00 12.41 O ATOM 568 CB SER A 39 -8.886 -17.336 2.864 1.00 62.30 C ATOM 569 OG SER A 39 -8.524 -18.700 3.031 1.00 74.13 O ATOM 0 H SER A 39 -6.615 -16.092 3.066 1.00 75.12 H new ATOM 0 HA SER A 39 -8.114 -17.465 0.890 1.00 42.42 H new ATOM 0 HB2 SER A 39 -8.700 -16.779 3.783 1.00 62.30 H new ATOM 0 HB3 SER A 39 -9.951 -17.250 2.649 1.00 62.30 H new ATOM 0 HG SER A 39 -9.042 -19.088 3.767 1.00 74.13 H new ATOM 574 N SER A 40 -8.416 -14.310 1.888 1.00 62.32 N ATOM 575 CA SER A 40 -8.817 -13.011 1.344 1.00 15.45 C ATOM 576 C SER A 40 -8.113 -12.736 0.013 1.00 3.21 C ATOM 577 O SER A 40 -8.688 -12.113 -0.886 1.00 22.55 O ATOM 578 CB SER A 40 -8.497 -11.921 2.358 1.00 51.01 C ATOM 579 OG SER A 40 -8.844 -10.632 1.913 1.00 32.41 O ATOM 0 H SER A 40 -7.989 -14.274 2.813 1.00 62.32 H new ATOM 0 HA SER A 40 -9.890 -13.021 1.153 1.00 15.45 H new ATOM 0 HB2 SER A 40 -9.025 -12.132 3.288 1.00 51.01 H new ATOM 0 HB3 SER A 40 -7.431 -11.946 2.584 1.00 51.01 H new ATOM 0 HG SER A 40 -8.281 -9.968 2.363 1.00 32.41 H new ATOM 584 N GLY A 41 -6.875 -13.212 -0.138 1.00 61.54 N ATOM 585 CA GLY A 41 -6.149 -13.075 -1.385 1.00 71.31 C ATOM 586 C GLY A 41 -5.486 -11.716 -1.390 1.00 20.43 C ATOM 587 O GLY A 41 -5.636 -10.905 -2.302 1.00 42.21 O ATOM 0 H GLY A 41 -6.360 -13.697 0.597 1.00 61.54 H new ATOM 0 HA2 GLY A 41 -5.403 -13.864 -1.481 1.00 71.31 H new ATOM 0 HA3 GLY A 41 -6.826 -13.172 -2.233 1.00 71.31 H new ATOM 591 N GLN A 42 -4.756 -11.448 -0.314 1.00 44.33 N ATOM 592 CA GLN A 42 -3.899 -10.286 -0.179 1.00 15.02 C ATOM 593 C GLN A 42 -2.491 -10.664 -0.699 1.00 22.53 C ATOM 594 O GLN A 42 -1.489 -10.064 -0.316 1.00 21.51 O ATOM 595 CB GLN A 42 -4.006 -9.825 1.287 1.00 34.45 C ATOM 596 CG GLN A 42 -5.440 -9.339 1.604 1.00 55.10 C ATOM 597 CD GLN A 42 -5.761 -9.183 3.089 1.00 0.43 C ATOM 598 OE1 GLN A 42 -6.907 -9.375 3.491 1.00 53.03 O ATOM 599 NE2 GLN A 42 -4.794 -8.858 3.936 1.00 43.00 N ATOM 0 H GLN A 42 -4.747 -12.052 0.508 1.00 44.33 H new ATOM 0 HA GLN A 42 -4.187 -9.425 -0.782 1.00 15.02 H new ATOM 0 HB2 GLN A 42 -3.740 -10.646 1.952 1.00 34.45 H new ATOM 0 HB3 GLN A 42 -3.294 -9.021 1.473 1.00 34.45 H new ATOM 0 HG2 GLN A 42 -5.598 -8.379 1.112 1.00 55.10 H new ATOM 0 HG3 GLN A 42 -6.149 -10.042 1.167 1.00 55.10 H new ATOM 0 HE21 GLN A 42 -3.847 -8.701 3.592 1.00 43.00 H new ATOM 0 HE22 GLN A 42 -4.998 -8.765 4.931 1.00 43.00 H new ATOM 606 N SER A 43 -2.411 -11.697 -1.558 1.00 43.21 N ATOM 607 CA SER A 43 -1.216 -12.447 -1.914 1.00 75.22 C ATOM 608 C SER A 43 -1.147 -12.688 -3.432 1.00 53.32 C ATOM 609 O SER A 43 -1.728 -13.632 -3.970 1.00 60.31 O ATOM 610 CB SER A 43 -1.168 -13.737 -1.070 1.00 51.31 C ATOM 611 OG SER A 43 -2.437 -14.386 -1.030 1.00 31.45 O ATOM 0 H SER A 43 -3.237 -12.043 -2.047 1.00 43.21 H new ATOM 0 HA SER A 43 -0.320 -11.873 -1.680 1.00 75.22 H new ATOM 0 HB2 SER A 43 -0.424 -14.417 -1.485 1.00 51.31 H new ATOM 0 HB3 SER A 43 -0.849 -13.497 -0.056 1.00 51.31 H new ATOM 0 HG SER A 43 -2.802 -14.447 -1.937 1.00 31.45 H new ATOM 616 N ARG A 44 -0.434 -11.815 -4.142 1.00 62.13 N ATOM 617 CA ARG A 44 0.031 -11.960 -5.514 1.00 35.55 C ATOM 618 C ARG A 44 1.517 -11.619 -5.553 1.00 42.24 C ATOM 619 O ARG A 44 2.340 -12.509 -5.745 1.00 54.20 O ATOM 620 CB ARG A 44 -0.778 -11.063 -6.472 1.00 3.35 C ATOM 621 CG ARG A 44 -2.033 -11.747 -7.017 1.00 64.42 C ATOM 622 CD ARG A 44 -3.321 -11.529 -6.217 1.00 62.14 C ATOM 623 NE ARG A 44 -4.487 -12.015 -6.973 1.00 23.32 N ATOM 624 CZ ARG A 44 -4.911 -13.276 -7.107 1.00 14.32 C ATOM 625 NH1 ARG A 44 -4.250 -14.297 -6.579 1.00 71.12 N ATOM 626 NH2 ARG A 44 -5.995 -13.540 -7.824 1.00 20.32 N ATOM 0 H ARG A 44 -0.147 -10.923 -3.740 1.00 62.13 H new ATOM 0 HA ARG A 44 -0.117 -12.987 -5.849 1.00 35.55 H new ATOM 0 HB2 ARG A 44 -1.066 -10.151 -5.950 1.00 3.35 H new ATOM 0 HB3 ARG A 44 -0.142 -10.766 -7.306 1.00 3.35 H new ATOM 0 HG2 ARG A 44 -2.199 -11.398 -8.036 1.00 64.42 H new ATOM 0 HG3 ARG A 44 -1.842 -12.819 -7.074 1.00 64.42 H new ATOM 0 HD2 ARG A 44 -3.256 -12.051 -5.262 1.00 62.14 H new ATOM 0 HD3 ARG A 44 -3.442 -10.469 -5.993 1.00 62.14 H new ATOM 0 HE ARG A 44 -5.038 -11.303 -7.453 1.00 23.32 H new ATOM 0 HH11 ARG A 44 -3.392 -14.132 -6.053 1.00 71.12 H new ATOM 0 HH12 ARG A 44 -4.600 -15.248 -6.699 1.00 71.12 H new ATOM 0 HH21 ARG A 44 -6.506 -12.781 -8.274 1.00 20.32 H new ATOM 0 HH22 ARG A 44 -6.317 -14.502 -7.925 1.00 20.32 H new ATOM 637 N GLY A 45 1.854 -10.345 -5.396 1.00 33.42 N ATOM 638 CA GLY A 45 3.202 -9.799 -5.412 1.00 54.33 C ATOM 639 C GLY A 45 3.109 -8.293 -5.196 1.00 35.52 C ATOM 640 O GLY A 45 3.868 -7.530 -5.794 1.00 74.32 O ATOM 0 H GLY A 45 1.149 -9.623 -5.245 1.00 33.42 H new ATOM 0 HA2 GLY A 45 3.807 -10.258 -4.631 1.00 54.33 H new ATOM 0 HA3 GLY A 45 3.689 -10.017 -6.362 1.00 54.33 H new ATOM 644 N PHE A 46 2.109 -7.862 -4.424 1.00 51.00 N ATOM 645 CA PHE A 46 1.910 -6.499 -3.980 1.00 15.42 C ATOM 646 C PHE A 46 1.135 -6.513 -2.668 1.00 34.52 C ATOM 647 O PHE A 46 0.505 -7.514 -2.320 1.00 54.44 O ATOM 648 CB PHE A 46 1.167 -5.659 -5.039 1.00 3.23 C ATOM 649 CG PHE A 46 -0.271 -6.072 -5.293 1.00 41.31 C ATOM 650 CD1 PHE A 46 -0.566 -7.079 -6.231 1.00 11.33 C ATOM 651 CD2 PHE A 46 -1.317 -5.433 -4.601 1.00 43.14 C ATOM 652 CE1 PHE A 46 -1.901 -7.461 -6.457 1.00 23.52 C ATOM 653 CE2 PHE A 46 -2.648 -5.845 -4.795 1.00 3.15 C ATOM 654 CZ PHE A 46 -2.942 -6.856 -5.729 1.00 1.41 C ATOM 0 H PHE A 46 1.385 -8.493 -4.080 1.00 51.00 H new ATOM 0 HA PHE A 46 2.884 -6.035 -3.829 1.00 15.42 H new ATOM 0 HB2 PHE A 46 1.179 -4.615 -4.727 1.00 3.23 H new ATOM 0 HB3 PHE A 46 1.717 -5.717 -5.978 1.00 3.23 H new ATOM 0 HD1 PHE A 46 0.233 -7.559 -6.777 1.00 11.33 H new ATOM 0 HD2 PHE A 46 -1.097 -4.625 -3.920 1.00 43.14 H new ATOM 0 HE1 PHE A 46 -2.127 -8.220 -7.191 1.00 23.52 H new ATOM 0 HE2 PHE A 46 -3.444 -5.386 -4.228 1.00 3.15 H new ATOM 0 HZ PHE A 46 -3.964 -7.167 -5.887 1.00 1.41 H new ATOM 663 N ALA A 47 1.120 -5.390 -1.969 1.00 22.55 N ATOM 664 CA ALA A 47 0.218 -5.136 -0.861 1.00 4.03 C ATOM 665 C ALA A 47 -0.292 -3.719 -1.029 1.00 15.41 C ATOM 666 O ALA A 47 0.386 -2.910 -1.664 1.00 4.25 O ATOM 667 CB ALA A 47 0.957 -5.310 0.461 1.00 51.42 C ATOM 0 H ALA A 47 1.751 -4.612 -2.162 1.00 22.55 H new ATOM 0 HA ALA A 47 -0.617 -5.837 -0.853 1.00 4.03 H new ATOM 0 HB1 ALA A 47 0.273 -5.118 1.288 1.00 51.42 H new ATOM 0 HB2 ALA A 47 1.337 -6.329 0.534 1.00 51.42 H new ATOM 0 HB3 ALA A 47 1.789 -4.608 0.508 1.00 51.42 H new ATOM 673 N PHE A 48 -1.473 -3.430 -0.493 1.00 20.41 N ATOM 674 CA PHE A 48 -2.015 -2.082 -0.370 1.00 1.34 C ATOM 675 C PHE A 48 -1.615 -1.560 1.018 1.00 60.40 C ATOM 676 O PHE A 48 -1.546 -2.339 1.977 1.00 31.41 O ATOM 677 CB PHE A 48 -3.554 -2.130 -0.453 1.00 72.12 C ATOM 678 CG PHE A 48 -4.134 -2.069 -1.855 1.00 34.11 C ATOM 679 CD1 PHE A 48 -3.489 -2.708 -2.927 1.00 2.05 C ATOM 680 CD2 PHE A 48 -5.300 -1.319 -2.105 1.00 40.22 C ATOM 681 CE1 PHE A 48 -3.952 -2.533 -4.234 1.00 34.43 C ATOM 682 CE2 PHE A 48 -5.796 -1.178 -3.411 1.00 54.34 C ATOM 683 CZ PHE A 48 -5.104 -1.770 -4.476 1.00 71.43 C ATOM 0 H PHE A 48 -2.097 -4.147 -0.122 1.00 20.41 H new ATOM 0 HA PHE A 48 -1.635 -1.442 -1.166 1.00 1.34 H new ATOM 0 HB2 PHE A 48 -3.898 -3.048 0.024 1.00 72.12 H new ATOM 0 HB3 PHE A 48 -3.958 -1.299 0.125 1.00 72.12 H new ATOM 0 HD1 PHE A 48 -2.631 -3.337 -2.740 1.00 2.05 H new ATOM 0 HD2 PHE A 48 -5.818 -0.847 -1.283 1.00 40.22 H new ATOM 0 HE1 PHE A 48 -3.422 -2.986 -5.059 1.00 34.43 H new ATOM 0 HE2 PHE A 48 -6.702 -0.619 -3.593 1.00 54.34 H new ATOM 0 HZ PHE A 48 -5.459 -1.638 -5.487 1.00 71.43 H new ATOM 692 N VAL A 49 -1.461 -0.245 1.140 1.00 73.54 N ATOM 693 CA VAL A 49 -1.387 0.514 2.380 1.00 23.13 C ATOM 694 C VAL A 49 -2.369 1.673 2.192 1.00 34.34 C ATOM 695 O VAL A 49 -2.329 2.339 1.154 1.00 31.34 O ATOM 696 CB VAL A 49 0.061 0.998 2.636 1.00 2.45 C ATOM 697 CG1 VAL A 49 0.157 1.831 3.925 1.00 62.54 C ATOM 698 CG2 VAL A 49 1.050 -0.175 2.744 1.00 4.12 C ATOM 0 H VAL A 49 -1.379 0.356 0.320 1.00 73.54 H new ATOM 0 HA VAL A 49 -1.650 -0.079 3.256 1.00 23.13 H new ATOM 0 HB VAL A 49 0.327 1.615 1.777 1.00 2.45 H new ATOM 0 HG11 VAL A 49 1.187 2.154 4.073 1.00 62.54 H new ATOM 0 HG12 VAL A 49 -0.489 2.705 3.842 1.00 62.54 H new ATOM 0 HG13 VAL A 49 -0.159 1.225 4.774 1.00 62.54 H new ATOM 0 HG21 VAL A 49 2.054 0.211 2.924 1.00 4.12 H new ATOM 0 HG22 VAL A 49 0.757 -0.823 3.570 1.00 4.12 H new ATOM 0 HG23 VAL A 49 1.041 -0.745 1.815 1.00 4.12 H new ATOM 708 N GLU A 50 -3.277 1.893 3.144 1.00 1.04 N ATOM 709 CA GLU A 50 -4.268 2.953 3.138 1.00 52.31 C ATOM 710 C GLU A 50 -3.948 3.910 4.287 1.00 35.44 C ATOM 711 O GLU A 50 -3.844 3.485 5.445 1.00 64.13 O ATOM 712 CB GLU A 50 -5.660 2.324 3.302 1.00 53.22 C ATOM 713 CG GLU A 50 -6.748 3.027 2.495 1.00 43.01 C ATOM 714 CD GLU A 50 -7.919 3.504 3.352 1.00 20.25 C ATOM 715 OE1 GLU A 50 -7.685 4.337 4.255 1.00 73.32 O ATOM 716 OE2 GLU A 50 -9.069 3.056 3.117 1.00 1.34 O ATOM 0 H GLU A 50 -3.338 1.306 3.976 1.00 1.04 H new ATOM 0 HA GLU A 50 -4.253 3.511 2.202 1.00 52.31 H new ATOM 0 HB2 GLU A 50 -5.614 1.278 3.000 1.00 53.22 H new ATOM 0 HB3 GLU A 50 -5.934 2.340 4.357 1.00 53.22 H new ATOM 0 HG2 GLU A 50 -6.313 3.882 1.978 1.00 43.01 H new ATOM 0 HG3 GLU A 50 -7.120 2.347 1.729 1.00 43.01 H new ATOM 721 N PHE A 51 -3.771 5.195 3.988 1.00 33.45 N ATOM 722 CA PHE A 51 -3.362 6.179 4.983 1.00 23.53 C ATOM 723 C PHE A 51 -4.598 6.825 5.625 1.00 64.43 C ATOM 724 O PHE A 51 -5.733 6.438 5.354 1.00 3.25 O ATOM 725 CB PHE A 51 -2.355 7.162 4.355 1.00 13.11 C ATOM 726 CG PHE A 51 -1.021 6.519 4.017 1.00 62.11 C ATOM 727 CD1 PHE A 51 -0.860 5.833 2.797 1.00 32.42 C ATOM 728 CD2 PHE A 51 0.056 6.587 4.924 1.00 44.30 C ATOM 729 CE1 PHE A 51 0.358 5.200 2.501 1.00 22.11 C ATOM 730 CE2 PHE A 51 1.278 5.966 4.616 1.00 63.14 C ATOM 731 CZ PHE A 51 1.428 5.268 3.408 1.00 41.01 C ATOM 0 H PHE A 51 -3.907 5.580 3.053 1.00 33.45 H new ATOM 0 HA PHE A 51 -2.831 5.707 5.809 1.00 23.53 H new ATOM 0 HB2 PHE A 51 -2.787 7.585 3.448 1.00 13.11 H new ATOM 0 HB3 PHE A 51 -2.188 7.990 5.044 1.00 13.11 H new ATOM 0 HD1 PHE A 51 -1.674 5.794 2.089 1.00 32.42 H new ATOM 0 HD2 PHE A 51 -0.059 7.118 5.858 1.00 44.30 H new ATOM 0 HE1 PHE A 51 0.472 4.659 1.573 1.00 22.11 H new ATOM 0 HE2 PHE A 51 2.103 6.026 5.310 1.00 63.14 H new ATOM 0 HZ PHE A 51 2.365 4.784 3.176 1.00 41.01 H new ATOM 740 N SER A 52 -4.381 7.764 6.544 1.00 1.14 N ATOM 741 CA SER A 52 -5.430 8.512 7.233 1.00 24.51 C ATOM 742 C SER A 52 -5.528 9.963 6.744 1.00 41.23 C ATOM 743 O SER A 52 -6.394 10.705 7.210 1.00 40.41 O ATOM 744 CB SER A 52 -5.128 8.485 8.729 1.00 4.45 C ATOM 745 OG SER A 52 -5.380 7.185 9.223 1.00 14.42 O ATOM 0 H SER A 52 -3.442 8.033 6.838 1.00 1.14 H new ATOM 0 HA SER A 52 -6.390 8.043 7.019 1.00 24.51 H new ATOM 0 HB2 SER A 52 -4.089 8.762 8.909 1.00 4.45 H new ATOM 0 HB3 SER A 52 -5.747 9.214 9.252 1.00 4.45 H new ATOM 0 HG SER A 52 -5.187 7.157 10.183 1.00 14.42 H new ATOM 750 N HIS A 53 -4.621 10.399 5.864 1.00 22.12 N ATOM 751 CA HIS A 53 -4.432 11.797 5.502 1.00 61.33 C ATOM 752 C HIS A 53 -4.068 11.842 4.023 1.00 12.31 C ATOM 753 O HIS A 53 -3.087 11.216 3.620 1.00 73.50 O ATOM 754 CB HIS A 53 -3.309 12.427 6.356 1.00 42.33 C ATOM 755 CG HIS A 53 -3.414 12.145 7.835 1.00 4.23 C ATOM 756 ND1 HIS A 53 -4.419 12.553 8.682 1.00 11.25 N ATOM 757 CD2 HIS A 53 -2.579 11.331 8.555 1.00 55.23 C ATOM 758 CE1 HIS A 53 -4.208 11.967 9.869 1.00 40.32 C ATOM 759 NE2 HIS A 53 -3.102 11.204 9.840 1.00 14.04 N ATOM 0 H HIS A 53 -3.985 9.769 5.375 1.00 22.12 H new ATOM 0 HA HIS A 53 -5.343 12.366 5.687 1.00 61.33 H new ATOM 0 HB2 HIS A 53 -2.348 12.060 5.997 1.00 42.33 H new ATOM 0 HB3 HIS A 53 -3.316 13.506 6.203 1.00 42.33 H new ATOM 0 HD2 HIS A 53 -1.674 10.869 8.190 1.00 55.23 H new ATOM 0 HE1 HIS A 53 -4.843 12.092 10.734 1.00 40.32 H new ATOM 0 HE2 HIS A 53 -2.722 10.645 10.604 1.00 14.04 H new ATOM 766 N LEU A 54 -4.795 12.622 3.220 1.00 52.12 N ATOM 767 CA LEU A 54 -4.614 12.717 1.765 1.00 13.11 C ATOM 768 C LEU A 54 -3.218 13.165 1.311 1.00 3.31 C ATOM 769 O LEU A 54 -2.931 13.131 0.117 1.00 31.34 O ATOM 770 CB LEU A 54 -5.719 13.603 1.153 1.00 51.33 C ATOM 771 CG LEU A 54 -5.749 15.089 1.584 1.00 21.35 C ATOM 772 CD1 LEU A 54 -4.681 15.958 0.908 1.00 42.13 C ATOM 773 CD2 LEU A 54 -7.125 15.685 1.267 1.00 32.45 C ATOM 0 H LEU A 54 -5.544 13.220 3.569 1.00 52.12 H new ATOM 0 HA LEU A 54 -4.703 11.699 1.387 1.00 13.11 H new ATOM 0 HB2 LEU A 54 -5.620 13.567 0.068 1.00 51.33 H new ATOM 0 HB3 LEU A 54 -6.684 13.160 1.399 1.00 51.33 H new ATOM 0 HG LEU A 54 -5.539 15.095 2.654 1.00 21.35 H new ATOM 0 HD11 LEU A 54 -4.769 16.985 1.263 1.00 42.13 H new ATOM 0 HD12 LEU A 54 -3.691 15.573 1.152 1.00 42.13 H new ATOM 0 HD13 LEU A 54 -4.823 15.935 -0.172 1.00 42.13 H new ATOM 0 HD21 LEU A 54 -7.147 16.732 1.570 1.00 32.45 H new ATOM 0 HD22 LEU A 54 -7.314 15.614 0.196 1.00 32.45 H new ATOM 0 HD23 LEU A 54 -7.894 15.134 1.809 1.00 32.45 H new ATOM 784 N GLN A 55 -2.357 13.610 2.228 1.00 14.14 N ATOM 785 CA GLN A 55 -0.981 14.009 1.952 1.00 34.12 C ATOM 786 C GLN A 55 0.029 12.905 2.270 1.00 60.22 C ATOM 787 O GLN A 55 1.147 12.944 1.762 1.00 13.42 O ATOM 788 CB GLN A 55 -0.653 15.263 2.774 1.00 32.54 C ATOM 789 CG GLN A 55 -0.706 15.038 4.300 1.00 20.21 C ATOM 790 CD GLN A 55 0.602 15.429 4.982 1.00 60.43 C ATOM 791 OE1 GLN A 55 1.000 16.589 4.942 1.00 11.34 O ATOM 792 NE2 GLN A 55 1.291 14.494 5.616 1.00 73.14 N ATOM 0 H GLN A 55 -2.608 13.704 3.212 1.00 14.14 H new ATOM 0 HA GLN A 55 -0.902 14.213 0.884 1.00 34.12 H new ATOM 0 HB2 GLN A 55 0.342 15.614 2.502 1.00 32.54 H new ATOM 0 HB3 GLN A 55 -1.354 16.054 2.508 1.00 32.54 H new ATOM 0 HG2 GLN A 55 -1.524 15.620 4.724 1.00 20.21 H new ATOM 0 HG3 GLN A 55 -0.922 13.989 4.504 1.00 20.21 H new ATOM 0 HE21 GLN A 55 0.946 13.534 5.640 1.00 73.14 H new ATOM 0 HE22 GLN A 55 2.167 14.733 6.081 1.00 73.14 H new ATOM 799 N ASP A 56 -0.322 11.949 3.135 1.00 4.35 N ATOM 800 CA ASP A 56 0.616 10.964 3.666 1.00 15.15 C ATOM 801 C ASP A 56 0.973 9.944 2.593 1.00 53.14 C ATOM 802 O ASP A 56 2.101 9.460 2.559 1.00 64.21 O ATOM 803 CB ASP A 56 0.002 10.219 4.860 1.00 43.14 C ATOM 804 CG ASP A 56 0.462 10.674 6.235 1.00 42.40 C ATOM 805 OD1 ASP A 56 0.944 11.816 6.428 1.00 12.03 O ATOM 806 OD2 ASP A 56 0.258 9.866 7.167 1.00 0.13 O ATOM 0 H ASP A 56 -1.273 11.839 3.487 1.00 4.35 H new ATOM 0 HA ASP A 56 1.511 11.496 3.988 1.00 15.15 H new ATOM 0 HB2 ASP A 56 -1.082 10.321 4.809 1.00 43.14 H new ATOM 0 HB3 ASP A 56 0.227 9.158 4.756 1.00 43.14 H new ATOM 810 N ALA A 57 0.025 9.649 1.698 1.00 62.44 N ATOM 811 CA ALA A 57 0.227 8.737 0.586 1.00 55.23 C ATOM 812 C ALA A 57 1.334 9.307 -0.301 1.00 15.42 C ATOM 813 O ALA A 57 2.322 8.639 -0.606 1.00 53.23 O ATOM 814 CB ALA A 57 -1.087 8.583 -0.169 1.00 73.33 C ATOM 0 H ALA A 57 -0.914 10.046 1.733 1.00 62.44 H new ATOM 0 HA ALA A 57 0.532 7.748 0.927 1.00 55.23 H new ATOM 0 HB1 ALA A 57 -0.947 7.900 -1.007 1.00 73.33 H new ATOM 0 HB2 ALA A 57 -1.848 8.184 0.502 1.00 73.33 H new ATOM 0 HB3 ALA A 57 -1.408 9.555 -0.543 1.00 73.33 H new ATOM 820 N THR A 58 1.191 10.585 -0.652 1.00 1.22 N ATOM 821 CA THR A 58 2.157 11.350 -1.415 1.00 61.24 C ATOM 822 C THR A 58 3.496 11.393 -0.694 1.00 13.32 C ATOM 823 O THR A 58 4.549 11.250 -1.317 1.00 31.14 O ATOM 824 CB THR A 58 1.647 12.791 -1.579 1.00 55.23 C ATOM 825 OG1 THR A 58 0.245 12.905 -1.394 1.00 3.05 O ATOM 826 CG2 THR A 58 2.047 13.319 -2.946 1.00 14.32 C ATOM 0 H THR A 58 0.366 11.129 -0.400 1.00 1.22 H new ATOM 0 HA THR A 58 2.285 10.874 -2.387 1.00 61.24 H new ATOM 0 HB THR A 58 2.111 13.392 -0.797 1.00 55.23 H new ATOM 0 HG1 THR A 58 -0.218 12.322 -2.031 1.00 3.05 H new ATOM 0 HG21 THR A 58 1.685 14.341 -3.062 1.00 14.32 H new ATOM 0 HG22 THR A 58 3.133 13.306 -3.037 1.00 14.32 H new ATOM 0 HG23 THR A 58 1.610 12.689 -3.721 1.00 14.32 H new ATOM 834 N ARG A 59 3.445 11.597 0.627 1.00 13.15 N ATOM 835 CA ARG A 59 4.609 11.743 1.476 1.00 43.41 C ATOM 836 C ARG A 59 5.471 10.509 1.295 1.00 20.21 C ATOM 837 O ARG A 59 6.660 10.653 1.019 1.00 22.22 O ATOM 838 CB ARG A 59 4.155 11.979 2.926 1.00 55.04 C ATOM 839 CG ARG A 59 5.188 12.663 3.821 1.00 55.23 C ATOM 840 CD ARG A 59 4.549 12.908 5.192 1.00 13.01 C ATOM 841 NE ARG A 59 5.401 13.723 6.061 1.00 22.21 N ATOM 842 CZ ARG A 59 5.429 15.059 6.132 1.00 15.22 C ATOM 843 NH1 ARG A 59 4.796 15.829 5.242 1.00 31.42 N ATOM 844 NH2 ARG A 59 6.111 15.611 7.130 1.00 32.12 N ATOM 0 H ARG A 59 2.565 11.665 1.138 1.00 13.15 H new ATOM 0 HA ARG A 59 5.213 12.609 1.206 1.00 43.41 H new ATOM 0 HB2 ARG A 59 3.249 12.585 2.913 1.00 55.04 H new ATOM 0 HB3 ARG A 59 3.891 11.019 3.369 1.00 55.04 H new ATOM 0 HG2 ARG A 59 6.076 12.039 3.922 1.00 55.23 H new ATOM 0 HG3 ARG A 59 5.510 13.606 3.378 1.00 55.23 H new ATOM 0 HD2 ARG A 59 3.588 13.404 5.060 1.00 13.01 H new ATOM 0 HD3 ARG A 59 4.350 11.951 5.675 1.00 13.01 H new ATOM 0 HE ARG A 59 6.040 13.220 6.676 1.00 22.21 H new ATOM 0 HH11 ARG A 59 4.271 15.401 4.479 1.00 31.42 H new ATOM 0 HH12 ARG A 59 4.838 16.845 5.325 1.00 31.42 H new ATOM 0 HH21 ARG A 59 6.590 15.019 7.809 1.00 32.12 H new ATOM 0 HH22 ARG A 59 6.155 16.626 7.217 1.00 32.12 H new ATOM 855 N TRP A 60 4.864 9.321 1.376 1.00 3.43 N ATOM 856 CA TRP A 60 5.581 8.080 1.173 1.00 24.10 C ATOM 857 C TRP A 60 6.127 7.983 -0.243 1.00 32.41 C ATOM 858 O TRP A 60 7.311 7.697 -0.415 1.00 43.43 O ATOM 859 CB TRP A 60 4.706 6.866 1.516 1.00 74.15 C ATOM 860 CG TRP A 60 5.472 5.599 1.791 1.00 44.03 C ATOM 861 CD1 TRP A 60 6.731 5.531 2.277 1.00 61.35 C ATOM 862 CD2 TRP A 60 5.046 4.212 1.668 1.00 33.10 C ATOM 863 NE1 TRP A 60 7.102 4.228 2.505 1.00 21.23 N ATOM 864 CE2 TRP A 60 6.095 3.362 2.139 1.00 0.21 C ATOM 865 CE3 TRP A 60 3.858 3.592 1.237 1.00 14.42 C ATOM 866 CZ2 TRP A 60 5.964 1.968 2.189 1.00 53.05 C ATOM 867 CZ3 TRP A 60 3.709 2.197 1.292 1.00 53.32 C ATOM 868 CH2 TRP A 60 4.757 1.385 1.768 1.00 61.10 C ATOM 0 H TRP A 60 3.872 9.203 1.582 1.00 3.43 H new ATOM 0 HA TRP A 60 6.431 8.077 1.856 1.00 24.10 H new ATOM 0 HB2 TRP A 60 4.101 7.106 2.390 1.00 74.15 H new ATOM 0 HB3 TRP A 60 4.017 6.687 0.691 1.00 74.15 H new ATOM 0 HD1 TRP A 60 7.362 6.388 2.462 1.00 61.35 H new ATOM 0 HE1 TRP A 60 8.001 3.941 2.893 1.00 21.23 H new ATOM 0 HE3 TRP A 60 3.049 4.199 0.858 1.00 14.42 H new ATOM 0 HZ2 TRP A 60 6.777 1.352 2.545 1.00 53.05 H new ATOM 0 HZ3 TRP A 60 2.784 1.743 0.967 1.00 53.32 H new ATOM 0 HH2 TRP A 60 4.633 0.313 1.809 1.00 61.10 H new ATOM 878 N MET A 61 5.274 8.205 -1.247 1.00 0.21 N ATOM 879 CA MET A 61 5.608 8.052 -2.653 1.00 64.31 C ATOM 880 C MET A 61 6.865 8.848 -2.994 1.00 43.43 C ATOM 881 O MET A 61 7.878 8.274 -3.404 1.00 11.22 O ATOM 882 CB MET A 61 4.406 8.483 -3.510 1.00 4.02 C ATOM 883 CG MET A 61 3.190 7.558 -3.343 1.00 54.02 C ATOM 884 SD MET A 61 2.812 6.468 -4.741 1.00 55.00 S ATOM 885 CE MET A 61 2.356 7.730 -5.955 1.00 13.44 C ATOM 0 H MET A 61 4.311 8.503 -1.094 1.00 0.21 H new ATOM 0 HA MET A 61 5.825 7.006 -2.869 1.00 64.31 H new ATOM 0 HB2 MET A 61 4.122 9.501 -3.242 1.00 4.02 H new ATOM 0 HB3 MET A 61 4.702 8.500 -4.559 1.00 4.02 H new ATOM 0 HG2 MET A 61 3.350 6.939 -2.460 1.00 54.02 H new ATOM 0 HG3 MET A 61 2.314 8.176 -3.145 1.00 54.02 H new ATOM 0 HE1 MET A 61 1.546 7.357 -6.581 1.00 13.44 H new ATOM 0 HE2 MET A 61 2.028 8.631 -5.437 1.00 13.44 H new ATOM 0 HE3 MET A 61 3.219 7.963 -6.579 1.00 13.44 H new ATOM 893 N GLU A 62 6.810 10.169 -2.846 1.00 21.13 N ATOM 894 CA GLU A 62 7.840 11.061 -3.366 1.00 31.14 C ATOM 895 C GLU A 62 9.116 10.943 -2.534 1.00 35.51 C ATOM 896 O GLU A 62 10.226 10.967 -3.070 1.00 14.14 O ATOM 897 CB GLU A 62 7.301 12.498 -3.401 1.00 0.32 C ATOM 898 CG GLU A 62 6.003 12.561 -4.233 1.00 40.15 C ATOM 899 CD GLU A 62 5.813 13.869 -5.000 1.00 73.13 C ATOM 900 OE1 GLU A 62 5.984 14.959 -4.411 1.00 4.14 O ATOM 901 OE2 GLU A 62 5.507 13.818 -6.216 1.00 14.11 O ATOM 0 H GLU A 62 6.051 10.650 -2.363 1.00 21.13 H new ATOM 0 HA GLU A 62 8.098 10.774 -4.385 1.00 31.14 H new ATOM 0 HB2 GLU A 62 7.108 12.847 -2.386 1.00 0.32 H new ATOM 0 HB3 GLU A 62 8.049 13.164 -3.830 1.00 0.32 H new ATOM 0 HG2 GLU A 62 5.999 11.733 -4.942 1.00 40.15 H new ATOM 0 HG3 GLU A 62 5.151 12.416 -3.568 1.00 40.15 H new ATOM 906 N ALA A 63 8.968 10.692 -1.230 1.00 75.21 N ATOM 907 CA ALA A 63 10.111 10.485 -0.338 1.00 12.10 C ATOM 908 C ALA A 63 10.825 9.162 -0.624 1.00 20.22 C ATOM 909 O ALA A 63 11.892 8.901 -0.065 1.00 73.14 O ATOM 910 CB ALA A 63 9.686 10.535 1.133 1.00 60.54 C ATOM 0 H ALA A 63 8.061 10.627 -0.767 1.00 75.21 H new ATOM 0 HA ALA A 63 10.809 11.300 -0.532 1.00 12.10 H new ATOM 0 HB1 ALA A 63 10.557 10.378 1.769 1.00 60.54 H new ATOM 0 HB2 ALA A 63 9.248 11.509 1.352 1.00 60.54 H new ATOM 0 HB3 ALA A 63 8.950 9.754 1.326 1.00 60.54 H new ATOM 916 N ASN A 64 10.273 8.325 -1.498 1.00 24.11 N ATOM 917 CA ASN A 64 10.872 7.071 -1.925 1.00 62.34 C ATOM 918 C ASN A 64 11.013 7.025 -3.435 1.00 15.11 C ATOM 919 O ASN A 64 11.286 5.962 -3.982 1.00 75.32 O ATOM 920 CB ASN A 64 10.120 5.901 -1.292 1.00 23.41 C ATOM 921 CG ASN A 64 10.349 5.938 0.217 1.00 60.53 C ATOM 922 OD1 ASN A 64 11.367 5.480 0.717 1.00 21.43 O ATOM 923 ND2 ASN A 64 9.462 6.538 0.985 1.00 54.22 N ATOM 0 H ASN A 64 9.372 8.508 -1.939 1.00 24.11 H new ATOM 0 HA ASN A 64 11.896 6.987 -1.562 1.00 62.34 H new ATOM 0 HB2 ASN A 64 9.055 5.970 -1.515 1.00 23.41 H new ATOM 0 HB3 ASN A 64 10.472 4.956 -1.706 1.00 23.41 H new ATOM 0 HD21 ASN A 64 9.627 6.618 1.988 1.00 54.22 H new ATOM 0 HD22 ASN A 64 8.610 6.923 0.576 1.00 54.22 H new ATOM 929 N GLN A 65 10.876 8.178 -4.108 1.00 32.24 N ATOM 930 CA GLN A 65 11.139 8.367 -5.530 1.00 53.34 C ATOM 931 C GLN A 65 10.233 7.477 -6.385 1.00 64.52 C ATOM 932 O GLN A 65 10.520 7.263 -7.563 1.00 12.32 O ATOM 933 CB GLN A 65 12.643 8.190 -5.841 1.00 64.12 C ATOM 934 CG GLN A 65 13.513 9.249 -5.149 1.00 71.31 C ATOM 935 CD GLN A 65 15.003 8.923 -5.230 1.00 23.52 C ATOM 936 OE1 GLN A 65 15.536 8.576 -6.282 1.00 14.03 O ATOM 937 NE2 GLN A 65 15.706 9.029 -4.113 1.00 34.11 N ATOM 0 H GLN A 65 10.566 9.035 -3.651 1.00 32.24 H new ATOM 0 HA GLN A 65 10.889 9.394 -5.798 1.00 53.34 H new ATOM 0 HB2 GLN A 65 12.962 7.197 -5.523 1.00 64.12 H new ATOM 0 HB3 GLN A 65 12.797 8.245 -6.919 1.00 64.12 H new ATOM 0 HG2 GLN A 65 13.331 10.221 -5.608 1.00 71.31 H new ATOM 0 HG3 GLN A 65 13.218 9.330 -4.103 1.00 71.31 H new ATOM 0 HE21 GLN A 65 15.249 9.318 -3.248 1.00 34.11 H new ATOM 0 HE22 GLN A 65 16.705 8.822 -4.117 1.00 34.11 H new ATOM 944 N HIS A 66 9.129 7.003 -5.797 1.00 44.42 N ATOM 945 CA HIS A 66 8.209 6.003 -6.315 1.00 35.32 C ATOM 946 C HIS A 66 8.768 4.564 -6.372 1.00 24.44 C ATOM 947 O HIS A 66 8.060 3.700 -6.912 1.00 20.13 O ATOM 948 CB HIS A 66 7.575 6.422 -7.658 1.00 55.33 C ATOM 949 CG HIS A 66 6.796 7.714 -7.669 1.00 61.42 C ATOM 950 ND1 HIS A 66 6.194 8.252 -8.784 1.00 53.32 N ATOM 951 CD2 HIS A 66 6.526 8.539 -6.610 1.00 54.01 C ATOM 952 CE1 HIS A 66 5.561 9.374 -8.402 1.00 3.11 C ATOM 953 NE2 HIS A 66 5.739 9.590 -7.085 1.00 42.14 N ATOM 0 H HIS A 66 8.840 7.338 -4.878 1.00 44.42 H new ATOM 0 HA HIS A 66 7.417 5.965 -5.567 1.00 35.32 H new ATOM 0 HB2 HIS A 66 8.370 6.498 -8.400 1.00 55.33 H new ATOM 0 HB3 HIS A 66 6.911 5.622 -7.984 1.00 55.33 H new ATOM 0 HD2 HIS A 66 6.861 8.402 -5.592 1.00 54.01 H new ATOM 0 HE1 HIS A 66 4.990 10.013 -9.059 1.00 3.11 H new ATOM 0 HE2 HIS A 66 5.371 10.370 -6.540 1.00 42.14 H new ATOM 960 N SER A 67 9.951 4.256 -5.817 1.00 24.40 N ATOM 961 CA SER A 67 10.526 2.909 -5.914 1.00 2.21 C ATOM 962 C SER A 67 11.378 2.540 -4.688 1.00 63.52 C ATOM 963 O SER A 67 12.518 2.985 -4.544 1.00 3.43 O ATOM 964 CB SER A 67 11.246 2.700 -7.265 1.00 33.21 C ATOM 965 OG SER A 67 11.730 3.901 -7.857 1.00 74.32 O ATOM 0 H SER A 67 10.525 4.921 -5.298 1.00 24.40 H new ATOM 0 HA SER A 67 9.701 2.197 -5.899 1.00 2.21 H new ATOM 0 HB2 SER A 67 12.083 2.018 -7.117 1.00 33.21 H new ATOM 0 HB3 SER A 67 10.559 2.216 -7.960 1.00 33.21 H new ATOM 0 HG SER A 67 12.174 3.692 -8.705 1.00 74.32 H new ATOM 970 N LEU A 68 10.814 1.723 -3.790 1.00 35.50 N ATOM 971 CA LEU A 68 11.452 1.192 -2.580 1.00 31.24 C ATOM 972 C LEU A 68 12.322 -0.029 -2.910 1.00 72.12 C ATOM 973 O LEU A 68 12.386 -0.467 -4.064 1.00 54.11 O ATOM 974 CB LEU A 68 10.382 0.748 -1.571 1.00 31.43 C ATOM 975 CG LEU A 68 9.466 1.847 -1.014 1.00 41.24 C ATOM 976 CD1 LEU A 68 8.228 1.222 -0.369 1.00 71.32 C ATOM 977 CD2 LEU A 68 10.169 2.679 0.051 1.00 72.54 C ATOM 0 H LEU A 68 9.853 1.398 -3.893 1.00 35.50 H new ATOM 0 HA LEU A 68 12.071 1.985 -2.160 1.00 31.24 H new ATOM 0 HB2 LEU A 68 9.757 -0.008 -2.047 1.00 31.43 H new ATOM 0 HB3 LEU A 68 10.884 0.265 -0.733 1.00 31.43 H new ATOM 0 HG LEU A 68 9.191 2.487 -1.853 1.00 41.24 H new ATOM 0 HD11 LEU A 68 7.585 2.010 0.023 1.00 71.32 H new ATOM 0 HD12 LEU A 68 7.681 0.645 -1.115 1.00 71.32 H new ATOM 0 HD13 LEU A 68 8.534 0.565 0.445 1.00 71.32 H new ATOM 0 HD21 LEU A 68 9.489 3.446 0.421 1.00 72.54 H new ATOM 0 HD22 LEU A 68 10.472 2.034 0.876 1.00 72.54 H new ATOM 0 HD23 LEU A 68 11.050 3.153 -0.381 1.00 72.54 H new ATOM 988 N ASN A 69 12.974 -0.618 -1.899 1.00 42.33 N ATOM 989 CA ASN A 69 13.872 -1.755 -2.098 1.00 1.12 C ATOM 990 C ASN A 69 13.842 -2.713 -0.903 1.00 3.31 C ATOM 991 O ASN A 69 14.665 -2.594 0.005 1.00 13.00 O ATOM 992 CB ASN A 69 15.275 -1.193 -2.378 1.00 2.01 C ATOM 993 CG ASN A 69 16.333 -2.234 -2.713 1.00 74.44 C ATOM 994 OD1 ASN A 69 17.484 -2.094 -2.315 1.00 23.41 O ATOM 995 ND2 ASN A 69 16.014 -3.292 -3.433 1.00 1.34 N ATOM 0 H ASN A 69 12.892 -0.319 -0.927 1.00 42.33 H new ATOM 0 HA ASN A 69 13.549 -2.355 -2.949 1.00 1.12 H new ATOM 0 HB2 ASN A 69 15.208 -0.487 -3.205 1.00 2.01 H new ATOM 0 HB3 ASN A 69 15.605 -0.630 -1.505 1.00 2.01 H new ATOM 0 HD21 ASN A 69 16.724 -3.990 -3.657 1.00 1.34 H new ATOM 0 HD22 ASN A 69 15.058 -3.413 -3.766 1.00 1.34 H new ATOM 1001 N ILE A 70 12.896 -3.659 -0.886 1.00 61.21 N ATOM 1002 CA ILE A 70 12.614 -4.512 0.283 1.00 34.40 C ATOM 1003 C ILE A 70 13.146 -5.913 -0.010 1.00 40.14 C ATOM 1004 O ILE A 70 12.882 -6.462 -1.081 1.00 0.22 O ATOM 1005 CB ILE A 70 11.101 -4.499 0.635 1.00 74.13 C ATOM 1006 CG1 ILE A 70 10.636 -3.080 1.019 1.00 11.32 C ATOM 1007 CG2 ILE A 70 10.733 -5.443 1.804 1.00 44.15 C ATOM 1008 CD1 ILE A 70 9.941 -2.343 -0.126 1.00 12.43 C ATOM 0 H ILE A 70 12.298 -3.859 -1.688 1.00 61.21 H new ATOM 0 HA ILE A 70 13.121 -4.126 1.168 1.00 34.40 H new ATOM 0 HB ILE A 70 10.598 -4.849 -0.266 1.00 74.13 H new ATOM 0 HG12 ILE A 70 9.954 -3.145 1.867 1.00 11.32 H new ATOM 0 HG13 ILE A 70 11.498 -2.499 1.347 1.00 11.32 H new ATOM 0 HG21 ILE A 70 9.662 -5.384 1.996 1.00 44.15 H new ATOM 0 HG22 ILE A 70 10.999 -6.467 1.542 1.00 44.15 H new ATOM 0 HG23 ILE A 70 11.279 -5.144 2.699 1.00 44.15 H new ATOM 0 HD11 ILE A 70 9.639 -1.351 0.210 1.00 12.43 H new ATOM 0 HD12 ILE A 70 10.628 -2.248 -0.967 1.00 12.43 H new ATOM 0 HD13 ILE A 70 9.060 -2.904 -0.438 1.00 12.43 H new ATOM 1019 N LEU A 71 13.920 -6.489 0.918 1.00 21.10 N ATOM 1020 CA LEU A 71 14.659 -7.746 0.749 1.00 32.31 C ATOM 1021 C LEU A 71 15.566 -7.707 -0.486 1.00 20.43 C ATOM 1022 O LEU A 71 15.948 -8.756 -1.005 1.00 41.03 O ATOM 1023 CB LEU A 71 13.729 -8.979 0.746 1.00 51.14 C ATOM 1024 CG LEU A 71 13.208 -9.452 2.108 1.00 43.34 C ATOM 1025 CD1 LEU A 71 12.206 -8.502 2.756 1.00 22.42 C ATOM 1026 CD2 LEU A 71 12.508 -10.791 1.898 1.00 73.32 C ATOM 0 H LEU A 71 14.054 -6.077 1.841 1.00 21.10 H new ATOM 0 HA LEU A 71 15.306 -7.851 1.620 1.00 32.31 H new ATOM 0 HB2 LEU A 71 12.871 -8.756 0.112 1.00 51.14 H new ATOM 0 HB3 LEU A 71 14.263 -9.807 0.280 1.00 51.14 H new ATOM 0 HG LEU A 71 14.068 -9.511 2.775 1.00 43.34 H new ATOM 0 HD11 LEU A 71 11.887 -8.909 3.715 1.00 22.42 H new ATOM 0 HD12 LEU A 71 12.674 -7.530 2.912 1.00 22.42 H new ATOM 0 HD13 LEU A 71 11.340 -8.387 2.104 1.00 22.42 H new ATOM 0 HD21 LEU A 71 12.125 -11.155 2.851 1.00 73.32 H new ATOM 0 HD22 LEU A 71 11.681 -10.664 1.200 1.00 73.32 H new ATOM 0 HD23 LEU A 71 13.217 -11.513 1.493 1.00 73.32 H new ATOM 1037 N GLY A 72 15.928 -6.517 -0.962 1.00 31.44 N ATOM 1038 CA GLY A 72 16.735 -6.348 -2.156 1.00 62.55 C ATOM 1039 C GLY A 72 15.959 -6.535 -3.460 1.00 3.04 C ATOM 1040 O GLY A 72 16.562 -6.417 -4.527 1.00 24.41 O ATOM 0 H GLY A 72 15.663 -5.637 -0.520 1.00 31.44 H new ATOM 0 HA2 GLY A 72 17.176 -5.351 -2.147 1.00 62.55 H new ATOM 0 HA3 GLY A 72 17.559 -7.061 -2.130 1.00 62.55 H new ATOM 1044 N GLN A 73 14.642 -6.767 -3.409 1.00 41.13 N ATOM 1045 CA GLN A 73 13.797 -6.691 -4.585 1.00 12.20 C ATOM 1046 C GLN A 73 13.602 -5.216 -4.903 1.00 0.21 C ATOM 1047 O GLN A 73 13.444 -4.393 -3.995 1.00 74.55 O ATOM 1048 CB GLN A 73 12.430 -7.359 -4.335 1.00 20.23 C ATOM 1049 CG GLN A 73 12.416 -8.870 -4.606 1.00 40.03 C ATOM 1050 CD GLN A 73 13.503 -9.637 -3.857 1.00 55.11 C ATOM 1051 OE1 GLN A 73 14.328 -10.299 -4.468 1.00 23.30 O ATOM 1052 NE2 GLN A 73 13.522 -9.563 -2.534 1.00 20.53 N ATOM 0 H GLN A 73 14.144 -7.010 -2.553 1.00 41.13 H new ATOM 0 HA GLN A 73 14.267 -7.217 -5.416 1.00 12.20 H new ATOM 0 HB2 GLN A 73 12.134 -7.183 -3.301 1.00 20.23 H new ATOM 0 HB3 GLN A 73 11.682 -6.880 -4.966 1.00 20.23 H new ATOM 0 HG2 GLN A 73 11.442 -9.271 -4.326 1.00 40.03 H new ATOM 0 HG3 GLN A 73 12.535 -9.040 -5.676 1.00 40.03 H new ATOM 0 HE21 GLN A 73 12.823 -9.004 -2.044 1.00 20.53 H new ATOM 0 HE22 GLN A 73 14.235 -10.065 -2.005 1.00 20.53 H new ATOM 1059 N LYS A 74 13.570 -4.880 -6.187 1.00 20.24 N ATOM 1060 CA LYS A 74 13.113 -3.586 -6.660 1.00 54.32 C ATOM 1061 C LYS A 74 11.604 -3.580 -6.476 1.00 2.34 C ATOM 1062 O LYS A 74 10.954 -4.525 -6.914 1.00 15.10 O ATOM 1063 CB LYS A 74 13.524 -3.468 -8.143 1.00 32.44 C ATOM 1064 CG LYS A 74 13.198 -2.130 -8.831 1.00 41.13 C ATOM 1065 CD LYS A 74 14.439 -1.462 -9.446 1.00 42.31 C ATOM 1066 CE LYS A 74 15.190 -0.697 -8.355 1.00 72.41 C ATOM 1067 NZ LYS A 74 16.561 -0.311 -8.743 1.00 71.15 N ATOM 0 H LYS A 74 13.865 -5.508 -6.935 1.00 20.24 H new ATOM 0 HA LYS A 74 13.542 -2.740 -6.124 1.00 54.32 H new ATOM 0 HB2 LYS A 74 14.598 -3.639 -8.216 1.00 32.44 H new ATOM 0 HB3 LYS A 74 13.035 -4.268 -8.699 1.00 32.44 H new ATOM 0 HG2 LYS A 74 12.457 -2.299 -9.612 1.00 41.13 H new ATOM 0 HG3 LYS A 74 12.748 -1.453 -8.105 1.00 41.13 H new ATOM 0 HD2 LYS A 74 15.089 -2.215 -9.892 1.00 42.31 H new ATOM 0 HD3 LYS A 74 14.143 -0.783 -10.245 1.00 42.31 H new ATOM 0 HE2 LYS A 74 14.627 0.201 -8.099 1.00 72.41 H new ATOM 0 HE3 LYS A 74 15.235 -1.312 -7.456 1.00 72.41 H new ATOM 0 HZ1 LYS A 74 17.012 0.203 -7.959 1.00 71.15 H new ATOM 0 HZ2 LYS A 74 17.114 -1.165 -8.961 1.00 71.15 H new ATOM 0 HZ3 LYS A 74 16.525 0.301 -9.583 1.00 71.15 H new ATOM 1077 N VAL A 75 11.055 -2.558 -5.829 1.00 14.30 N ATOM 1078 CA VAL A 75 9.629 -2.430 -5.544 1.00 1.32 C ATOM 1079 C VAL A 75 9.169 -1.089 -6.118 1.00 74.15 C ATOM 1080 O VAL A 75 9.936 -0.127 -6.099 1.00 11.03 O ATOM 1081 CB VAL A 75 9.404 -2.569 -4.024 1.00 24.24 C ATOM 1082 CG1 VAL A 75 7.929 -2.446 -3.625 1.00 62.35 C ATOM 1083 CG2 VAL A 75 9.902 -3.929 -3.505 1.00 71.52 C ATOM 0 H VAL A 75 11.604 -1.773 -5.478 1.00 14.30 H new ATOM 0 HA VAL A 75 9.033 -3.215 -6.010 1.00 1.32 H new ATOM 0 HB VAL A 75 9.969 -1.750 -3.579 1.00 24.24 H new ATOM 0 HG11 VAL A 75 7.834 -2.552 -2.544 1.00 62.35 H new ATOM 0 HG12 VAL A 75 7.550 -1.470 -3.928 1.00 62.35 H new ATOM 0 HG13 VAL A 75 7.352 -3.228 -4.118 1.00 62.35 H new ATOM 0 HG21 VAL A 75 9.729 -3.994 -2.431 1.00 71.52 H new ATOM 0 HG22 VAL A 75 9.362 -4.731 -4.009 1.00 71.52 H new ATOM 0 HG23 VAL A 75 10.969 -4.027 -3.707 1.00 71.52 H new ATOM 1093 N SER A 76 7.926 -1.007 -6.606 1.00 61.15 N ATOM 1094 CA SER A 76 7.370 0.204 -7.205 1.00 14.40 C ATOM 1095 C SER A 76 6.041 0.568 -6.538 1.00 4.12 C ATOM 1096 O SER A 76 5.143 -0.275 -6.484 1.00 14.23 O ATOM 1097 CB SER A 76 7.247 -0.006 -8.720 1.00 74.23 C ATOM 1098 OG SER A 76 6.384 -1.074 -9.074 1.00 60.21 O ATOM 0 H SER A 76 7.273 -1.791 -6.594 1.00 61.15 H new ATOM 0 HA SER A 76 8.033 1.054 -7.040 1.00 14.40 H new ATOM 0 HB2 SER A 76 6.882 0.913 -9.178 1.00 74.23 H new ATOM 0 HB3 SER A 76 8.237 -0.197 -9.134 1.00 74.23 H new ATOM 0 HG SER A 76 5.470 -0.736 -9.176 1.00 60.21 H new ATOM 1103 N MET A 77 5.892 1.798 -6.028 1.00 32.20 N ATOM 1104 CA MET A 77 4.634 2.239 -5.421 1.00 42.31 C ATOM 1105 C MET A 77 3.689 2.857 -6.446 1.00 42.21 C ATOM 1106 O MET A 77 4.146 3.492 -7.404 1.00 34.11 O ATOM 1107 CB MET A 77 4.816 3.187 -4.227 1.00 61.42 C ATOM 1108 CG MET A 77 5.791 4.347 -4.385 1.00 32.11 C ATOM 1109 SD MET A 77 7.174 4.356 -3.206 1.00 61.54 S ATOM 1110 CE MET A 77 6.289 4.442 -1.616 1.00 53.43 C ATOM 0 H MET A 77 6.629 2.504 -6.025 1.00 32.20 H new ATOM 0 HA MET A 77 4.182 1.327 -5.031 1.00 42.31 H new ATOM 0 HB2 MET A 77 3.840 3.602 -3.976 1.00 61.42 H new ATOM 0 HB3 MET A 77 5.139 2.592 -3.373 1.00 61.42 H new ATOM 0 HG2 MET A 77 6.196 4.326 -5.397 1.00 32.11 H new ATOM 0 HG3 MET A 77 5.240 5.282 -4.282 1.00 32.11 H new ATOM 0 HE1 MET A 77 6.925 4.921 -0.871 1.00 53.43 H new ATOM 0 HE2 MET A 77 5.374 5.022 -1.740 1.00 53.43 H new ATOM 0 HE3 MET A 77 6.038 3.434 -1.284 1.00 53.43 H new ATOM 1118 N HIS A 78 2.387 2.702 -6.195 1.00 31.13 N ATOM 1119 CA HIS A 78 1.273 3.048 -7.066 1.00 12.13 C ATOM 1120 C HIS A 78 0.134 3.625 -6.233 1.00 71.34 C ATOM 1121 O HIS A 78 -0.249 3.005 -5.242 1.00 33.51 O ATOM 1122 CB HIS A 78 0.765 1.766 -7.746 1.00 51.01 C ATOM 1123 CG HIS A 78 1.805 1.174 -8.659 1.00 72.13 C ATOM 1124 ND1 HIS A 78 2.117 1.644 -9.910 1.00 60.20 N ATOM 1125 CD2 HIS A 78 2.711 0.200 -8.342 1.00 40.34 C ATOM 1126 CE1 HIS A 78 3.198 0.976 -10.336 1.00 32.55 C ATOM 1127 NE2 HIS A 78 3.591 0.061 -9.426 1.00 55.02 N ATOM 0 H HIS A 78 2.066 2.302 -5.313 1.00 31.13 H new ATOM 0 HA HIS A 78 1.602 3.778 -7.806 1.00 12.13 H new ATOM 0 HB2 HIS A 78 0.489 1.035 -6.986 1.00 51.01 H new ATOM 0 HB3 HIS A 78 -0.137 1.989 -8.317 1.00 51.01 H new ATOM 0 HD1 HIS A 78 1.617 2.370 -10.423 1.00 60.20 H new ATOM 0 HD2 HIS A 78 2.743 -0.363 -7.421 1.00 40.34 H new ATOM 0 HE1 HIS A 78 3.689 1.148 -11.282 1.00 32.55 H new ATOM 1134 N TYR A 79 -0.456 4.747 -6.640 1.00 51.13 N ATOM 1135 CA TYR A 79 -1.785 5.124 -6.200 1.00 43.11 C ATOM 1136 C TYR A 79 -2.788 4.139 -6.786 1.00 0.31 C ATOM 1137 O TYR A 79 -2.899 4.006 -8.006 1.00 52.01 O ATOM 1138 CB TYR A 79 -2.115 6.551 -6.649 1.00 44.11 C ATOM 1139 CG TYR A 79 -1.502 7.693 -5.858 1.00 55.30 C ATOM 1140 CD1 TYR A 79 -0.845 7.497 -4.624 1.00 20.32 C ATOM 1141 CD2 TYR A 79 -1.701 9.002 -6.335 1.00 71.13 C ATOM 1142 CE1 TYR A 79 -0.430 8.602 -3.867 1.00 31.43 C ATOM 1143 CE2 TYR A 79 -1.282 10.112 -5.586 1.00 20.54 C ATOM 1144 CZ TYR A 79 -0.662 9.908 -4.337 1.00 1.33 C ATOM 1145 OH TYR A 79 -0.314 10.955 -3.557 1.00 31.52 O ATOM 0 H TYR A 79 -0.024 5.413 -7.281 1.00 51.13 H new ATOM 0 HA TYR A 79 -1.832 5.097 -5.111 1.00 43.11 H new ATOM 0 HB2 TYR A 79 -1.805 6.657 -7.689 1.00 44.11 H new ATOM 0 HB3 TYR A 79 -3.198 6.669 -6.626 1.00 44.11 H new ATOM 0 HD1 TYR A 79 -0.662 6.496 -4.263 1.00 20.32 H new ATOM 0 HD2 TYR A 79 -2.182 9.154 -7.290 1.00 71.13 H new ATOM 0 HE1 TYR A 79 0.069 8.450 -2.921 1.00 31.43 H new ATOM 0 HE2 TYR A 79 -1.433 11.113 -5.963 1.00 20.54 H new ATOM 0 HH TYR A 79 -0.534 11.792 -4.016 1.00 31.52 H new ATOM 1154 N SER A 80 -3.542 3.471 -5.919 1.00 4.35 N ATOM 1155 CA SER A 80 -4.593 2.543 -6.304 1.00 4.23 C ATOM 1156 C SER A 80 -5.850 2.947 -5.533 1.00 24.23 C ATOM 1157 O SER A 80 -6.394 2.151 -4.769 1.00 64.22 O ATOM 1158 CB SER A 80 -4.106 1.106 -6.041 1.00 22.42 C ATOM 1159 OG SER A 80 -4.630 0.202 -7.007 1.00 34.12 O ATOM 0 H SER A 80 -3.435 3.563 -4.909 1.00 4.35 H new ATOM 0 HA SER A 80 -4.838 2.578 -7.366 1.00 4.23 H new ATOM 0 HB2 SER A 80 -3.017 1.078 -6.066 1.00 22.42 H new ATOM 0 HB3 SER A 80 -4.411 0.793 -5.042 1.00 22.42 H new ATOM 0 HG SER A 80 -3.950 0.022 -7.690 1.00 34.12 H new ATOM 1164 N ASP A 81 -6.257 4.218 -5.655 1.00 52.14 N ATOM 1165 CA ASP A 81 -7.272 4.793 -4.768 1.00 23.15 C ATOM 1166 C ASP A 81 -8.608 4.060 -4.887 1.00 72.42 C ATOM 1167 O ASP A 81 -8.890 3.437 -5.918 1.00 41.23 O ATOM 1168 CB ASP A 81 -7.455 6.305 -4.961 1.00 64.41 C ATOM 1169 CG ASP A 81 -8.731 6.752 -5.690 1.00 43.30 C ATOM 1170 OD1 ASP A 81 -9.794 6.822 -5.026 1.00 21.53 O ATOM 1171 OD2 ASP A 81 -8.592 7.170 -6.859 1.00 54.03 O ATOM 0 H ASP A 81 -5.899 4.864 -6.358 1.00 52.14 H new ATOM 0 HA ASP A 81 -6.895 4.652 -3.755 1.00 23.15 H new ATOM 0 HB2 ASP A 81 -7.439 6.779 -3.980 1.00 64.41 H new ATOM 0 HB3 ASP A 81 -6.595 6.685 -5.513 1.00 64.41 H new ATOM 1175 N PRO A 82 -9.440 4.105 -3.837 1.00 52.10 N ATOM 1176 CA PRO A 82 -10.571 3.207 -3.750 1.00 61.40 C ATOM 1177 C PRO A 82 -11.712 3.544 -4.704 1.00 75.54 C ATOM 1178 O PRO A 82 -12.543 2.670 -4.965 1.00 2.13 O ATOM 1179 CB PRO A 82 -11.033 3.312 -2.309 1.00 63.51 C ATOM 1180 CG PRO A 82 -10.661 4.735 -1.915 1.00 54.02 C ATOM 1181 CD PRO A 82 -9.326 4.906 -2.621 1.00 72.50 C ATOM 0 HA PRO A 82 -10.272 2.200 -4.042 1.00 61.40 H new ATOM 0 HB2 PRO A 82 -12.105 3.138 -2.218 1.00 63.51 H new ATOM 0 HB3 PRO A 82 -10.537 2.578 -1.675 1.00 63.51 H new ATOM 0 HG2 PRO A 82 -11.400 5.461 -2.254 1.00 54.02 H new ATOM 0 HG3 PRO A 82 -10.572 4.852 -0.835 1.00 54.02 H new ATOM 0 HD2 PRO A 82 -9.133 5.953 -2.854 1.00 72.50 H new ATOM 0 HD3 PRO A 82 -8.502 4.562 -1.997 1.00 72.50 H new ATOM 1186 N LYS A 83 -11.740 4.779 -5.206 1.00 33.14 N ATOM 1187 CA LYS A 83 -12.692 5.350 -6.157 1.00 34.51 C ATOM 1188 C LYS A 83 -14.146 5.314 -5.660 1.00 60.14 C ATOM 1189 O LYS A 83 -14.442 4.670 -4.646 1.00 31.44 O ATOM 1190 CB LYS A 83 -12.425 4.762 -7.564 1.00 55.44 C ATOM 1191 CG LYS A 83 -13.097 3.410 -7.860 1.00 44.33 C ATOM 1192 CD LYS A 83 -13.443 3.280 -9.341 1.00 51.32 C ATOM 1193 CE LYS A 83 -14.182 1.965 -9.586 1.00 71.40 C ATOM 1194 NZ LYS A 83 -14.678 1.876 -10.970 1.00 40.22 N ATOM 0 H LYS A 83 -11.035 5.464 -4.933 1.00 33.14 H new ATOM 0 HA LYS A 83 -12.527 6.424 -6.245 1.00 34.51 H new ATOM 0 HB2 LYS A 83 -12.759 5.484 -8.309 1.00 55.44 H new ATOM 0 HB3 LYS A 83 -11.349 4.648 -7.692 1.00 55.44 H new ATOM 0 HG2 LYS A 83 -12.432 2.598 -7.566 1.00 44.33 H new ATOM 0 HG3 LYS A 83 -14.003 3.312 -7.262 1.00 44.33 H new ATOM 0 HD2 LYS A 83 -14.063 4.120 -9.654 1.00 51.32 H new ATOM 0 HD3 LYS A 83 -12.533 3.314 -9.941 1.00 51.32 H new ATOM 0 HE2 LYS A 83 -13.514 1.128 -9.383 1.00 71.40 H new ATOM 0 HE3 LYS A 83 -15.019 1.881 -8.892 1.00 71.40 H new ATOM 0 HZ1 LYS A 83 -15.175 0.972 -11.103 1.00 40.22 H new ATOM 0 HZ2 LYS A 83 -15.334 2.662 -11.155 1.00 40.22 H new ATOM 0 HZ3 LYS A 83 -13.876 1.931 -11.630 1.00 40.22 H new ATOM 1204 N PRO A 84 -15.086 6.043 -6.288 1.00 15.42 N ATOM 1205 CA PRO A 84 -16.490 5.742 -6.108 1.00 32.23 C ATOM 1206 C PRO A 84 -16.736 4.369 -6.743 1.00 24.34 C ATOM 1207 O PRO A 84 -16.677 4.225 -7.963 1.00 34.45 O ATOM 1208 CB PRO A 84 -17.278 6.881 -6.759 1.00 40.32 C ATOM 1209 CG PRO A 84 -16.331 7.410 -7.828 1.00 22.21 C ATOM 1210 CD PRO A 84 -14.929 7.059 -7.320 1.00 41.41 C ATOM 0 HA PRO A 84 -16.808 5.681 -5.067 1.00 32.23 H new ATOM 0 HB2 PRO A 84 -18.212 6.525 -7.193 1.00 40.32 H new ATOM 0 HB3 PRO A 84 -17.537 7.654 -6.035 1.00 40.32 H new ATOM 0 HG2 PRO A 84 -16.528 6.947 -8.795 1.00 22.21 H new ATOM 0 HG3 PRO A 84 -16.446 8.486 -7.960 1.00 22.21 H new ATOM 0 HD2 PRO A 84 -14.307 6.687 -8.134 1.00 41.41 H new ATOM 0 HD3 PRO A 84 -14.433 7.942 -6.918 1.00 41.41 H new ATOM 1215 N LYS A 85 -16.909 3.327 -5.927 1.00 62.14 N ATOM 1216 CA LYS A 85 -17.192 1.965 -6.387 1.00 41.21 C ATOM 1217 C LYS A 85 -18.556 1.512 -5.858 1.00 72.04 C ATOM 1218 O LYS A 85 -18.824 0.321 -5.662 1.00 44.43 O ATOM 1219 CB LYS A 85 -16.001 1.051 -6.035 1.00 73.30 C ATOM 1220 CG LYS A 85 -15.965 -0.162 -6.971 1.00 52.41 C ATOM 1221 CD LYS A 85 -14.714 -1.025 -6.798 1.00 75.34 C ATOM 1222 CE LYS A 85 -14.855 -2.219 -7.746 1.00 62.12 C ATOM 1223 NZ LYS A 85 -13.636 -3.044 -7.798 1.00 20.52 N ATOM 0 H LYS A 85 -16.856 3.407 -4.912 1.00 62.14 H new ATOM 0 HA LYS A 85 -17.284 1.915 -7.472 1.00 41.21 H new ATOM 0 HB2 LYS A 85 -15.069 1.610 -6.117 1.00 73.30 H new ATOM 0 HB3 LYS A 85 -16.083 0.718 -5.000 1.00 73.30 H new ATOM 0 HG2 LYS A 85 -16.848 -0.775 -6.793 1.00 52.41 H new ATOM 0 HG3 LYS A 85 -16.020 0.183 -8.003 1.00 52.41 H new ATOM 0 HD2 LYS A 85 -13.816 -0.453 -7.031 1.00 75.34 H new ATOM 0 HD3 LYS A 85 -14.618 -1.362 -5.766 1.00 75.34 H new ATOM 0 HE2 LYS A 85 -15.694 -2.836 -7.426 1.00 62.12 H new ATOM 0 HE3 LYS A 85 -15.089 -1.858 -8.748 1.00 62.12 H new ATOM 0 HZ1 LYS A 85 -13.782 -3.839 -8.453 1.00 20.52 H new ATOM 0 HZ2 LYS A 85 -12.839 -2.465 -8.129 1.00 20.52 H new ATOM 0 HZ3 LYS A 85 -13.425 -3.412 -6.848 1.00 20.52 H new ATOM 1233 N ILE A 86 -19.429 2.465 -5.550 1.00 11.31 N ATOM 1234 CA ILE A 86 -20.836 2.210 -5.318 1.00 42.44 C ATOM 1235 C ILE A 86 -21.450 1.966 -6.700 1.00 2.35 C ATOM 1236 O ILE A 86 -20.959 2.496 -7.702 1.00 12.15 O ATOM 1237 CB ILE A 86 -21.516 3.409 -4.615 1.00 63.34 C ATOM 1238 CG1 ILE A 86 -20.687 4.105 -3.507 1.00 61.00 C ATOM 1239 CG2 ILE A 86 -22.832 2.907 -3.986 1.00 75.04 C ATOM 1240 CD1 ILE A 86 -19.547 5.020 -3.989 1.00 63.44 C ATOM 0 H ILE A 86 -19.171 3.447 -5.455 1.00 11.31 H new ATOM 0 HA ILE A 86 -20.978 1.353 -4.660 1.00 42.44 H new ATOM 0 HB ILE A 86 -21.657 4.163 -5.390 1.00 63.34 H new ATOM 0 HG12 ILE A 86 -21.365 4.696 -2.892 1.00 61.00 H new ATOM 0 HG13 ILE A 86 -20.261 3.336 -2.863 1.00 61.00 H new ATOM 0 HG21 ILE A 86 -23.333 3.734 -3.483 1.00 75.04 H new ATOM 0 HG22 ILE A 86 -23.481 2.511 -4.767 1.00 75.04 H new ATOM 0 HG23 ILE A 86 -22.613 2.121 -3.263 1.00 75.04 H new ATOM 0 HD11 ILE A 86 -19.038 5.451 -3.127 1.00 63.44 H new ATOM 0 HD12 ILE A 86 -18.837 4.438 -4.576 1.00 63.44 H new ATOM 0 HD13 ILE A 86 -19.958 5.820 -4.605 1.00 63.44 H new ATOM 1251 N ASN A 87 -22.550 1.214 -6.758 1.00 53.31 N ATOM 1252 CA ASN A 87 -23.333 1.063 -7.992 1.00 71.23 C ATOM 1253 C ASN A 87 -24.159 2.290 -8.350 1.00 64.31 C ATOM 1254 O ASN A 87 -24.757 2.352 -9.419 1.00 63.01 O ATOM 1255 CB ASN A 87 -24.277 -0.139 -7.880 1.00 33.23 C ATOM 1256 CG ASN A 87 -23.605 -1.458 -8.208 1.00 13.15 C ATOM 1257 OD1 ASN A 87 -24.214 -2.329 -8.820 1.00 15.23 O ATOM 1258 ND2 ASN A 87 -22.381 -1.681 -7.767 1.00 20.12 N ATOM 0 H ASN A 87 -22.923 0.696 -5.962 1.00 53.31 H new ATOM 0 HA ASN A 87 -22.600 0.917 -8.786 1.00 71.23 H new ATOM 0 HB2 ASN A 87 -24.678 -0.185 -6.868 1.00 33.23 H new ATOM 0 HB3 ASN A 87 -25.123 0.008 -8.552 1.00 33.23 H new ATOM 0 HD21 ASN A 87 -21.935 -2.583 -7.934 1.00 20.12 H new ATOM 0 HD22 ASN A 87 -21.881 -0.951 -7.259 1.00 20.12 H new ATOM 1264 N GLU A 88 -24.167 3.270 -7.466 1.00 15.23 N ATOM 1265 CA GLU A 88 -25.019 4.437 -7.532 1.00 3.55 C ATOM 1266 C GLU A 88 -24.172 5.641 -7.177 1.00 64.20 C ATOM 1267 O GLU A 88 -23.670 5.792 -6.063 1.00 64.00 O ATOM 1268 CB GLU A 88 -26.219 4.322 -6.600 1.00 54.10 C ATOM 1269 CG GLU A 88 -27.138 3.128 -6.864 1.00 33.14 C ATOM 1270 CD GLU A 88 -27.630 2.955 -8.307 1.00 35.43 C ATOM 1271 OE1 GLU A 88 -27.809 3.971 -9.013 1.00 42.14 O ATOM 1272 OE2 GLU A 88 -27.814 1.787 -8.726 1.00 43.52 O ATOM 0 H GLU A 88 -23.554 3.272 -6.650 1.00 15.23 H new ATOM 0 HA GLU A 88 -25.426 4.535 -8.538 1.00 3.55 H new ATOM 0 HB2 GLU A 88 -25.857 4.261 -5.574 1.00 54.10 H new ATOM 0 HB3 GLU A 88 -26.807 5.236 -6.677 1.00 54.10 H new ATOM 0 HG2 GLU A 88 -26.612 2.220 -6.571 1.00 33.14 H new ATOM 0 HG3 GLU A 88 -28.008 3.216 -6.214 1.00 33.14 H new ATOM 1277 N ASP A 89 -23.990 6.475 -8.181 1.00 42.11 N ATOM 1278 CA ASP A 89 -23.156 7.684 -8.147 1.00 71.42 C ATOM 1279 C ASP A 89 -23.909 8.886 -7.556 1.00 33.32 C ATOM 1280 O ASP A 89 -23.383 9.998 -7.496 1.00 0.51 O ATOM 1281 CB ASP A 89 -22.642 7.973 -9.563 1.00 2.31 C ATOM 1282 CG ASP A 89 -21.109 7.893 -9.631 1.00 33.24 C ATOM 1283 OD1 ASP A 89 -20.426 8.881 -9.263 1.00 40.50 O ATOM 1284 OD2 ASP A 89 -20.574 6.841 -10.057 1.00 2.33 O ATOM 0 H ASP A 89 -24.434 6.332 -9.088 1.00 42.11 H new ATOM 0 HA ASP A 89 -22.306 7.510 -7.487 1.00 71.42 H new ATOM 0 HB2 ASP A 89 -23.076 7.258 -10.262 1.00 2.31 H new ATOM 0 HB3 ASP A 89 -22.970 8.964 -9.875 1.00 2.31 H new ATOM 1288 N TRP A 90 -25.157 8.665 -7.139 1.00 1.55 N ATOM 1289 CA TRP A 90 -26.102 9.658 -6.645 1.00 40.52 C ATOM 1290 C TRP A 90 -26.728 9.247 -5.306 1.00 40.33 C ATOM 1291 O TRP A 90 -27.531 9.997 -4.743 1.00 31.01 O ATOM 1292 CB TRP A 90 -27.163 9.889 -7.733 1.00 52.13 C ATOM 1293 CG TRP A 90 -27.967 8.673 -8.103 1.00 23.35 C ATOM 1294 CD1 TRP A 90 -27.519 7.621 -8.828 1.00 72.23 C ATOM 1295 CD2 TRP A 90 -29.338 8.334 -7.721 1.00 43.43 C ATOM 1296 NE1 TRP A 90 -28.487 6.641 -8.866 1.00 12.22 N ATOM 1297 CE2 TRP A 90 -29.641 7.036 -8.228 1.00 13.55 C ATOM 1298 CE3 TRP A 90 -30.349 8.980 -6.977 1.00 2.55 C ATOM 1299 CZ2 TRP A 90 -30.879 6.412 -8.006 1.00 3.41 C ATOM 1300 CZ3 TRP A 90 -31.598 8.369 -6.752 1.00 73.10 C ATOM 1301 CH2 TRP A 90 -31.865 7.087 -7.267 1.00 11.23 C ATOM 0 H TRP A 90 -25.556 7.726 -7.139 1.00 1.55 H new ATOM 0 HA TRP A 90 -25.577 10.591 -6.442 1.00 40.52 H new ATOM 0 HB2 TRP A 90 -27.846 10.668 -7.394 1.00 52.13 H new ATOM 0 HB3 TRP A 90 -26.668 10.265 -8.628 1.00 52.13 H new ATOM 0 HD1 TRP A 90 -26.551 7.559 -9.304 1.00 72.23 H new ATOM 0 HE1 TRP A 90 -28.363 5.733 -9.313 1.00 12.22 H new ATOM 0 HE3 TRP A 90 -30.161 9.963 -6.572 1.00 2.55 H new ATOM 0 HZ2 TRP A 90 -31.071 5.424 -8.399 1.00 3.41 H new ATOM 0 HZ3 TRP A 90 -32.355 8.887 -6.181 1.00 73.10 H new ATOM 0 HH2 TRP A 90 -32.825 6.623 -7.095 1.00 11.23 H new ATOM 1311 N LEU A 91 -26.336 8.081 -4.787 1.00 33.43 N ATOM 1312 CA LEU A 91 -26.681 7.630 -3.433 1.00 60.03 C ATOM 1313 C LEU A 91 -25.519 7.931 -2.504 1.00 61.12 C ATOM 1314 O LEU A 91 -25.526 7.431 -1.354 1.00 51.14 O ATOM 1315 CB LEU A 91 -27.068 6.139 -3.409 1.00 34.33 C ATOM 1316 CG LEU A 91 -28.587 5.913 -3.475 1.00 41.50 C ATOM 1317 CD1 LEU A 91 -29.207 6.392 -4.787 1.00 44.40 C ATOM 1318 CD2 LEU A 91 -28.874 4.423 -3.293 1.00 63.11 C ATOM 0 H LEU A 91 -25.762 7.413 -5.301 1.00 33.43 H new ATOM 0 HA LEU A 91 -27.561 8.173 -3.087 1.00 60.03 H new ATOM 0 HB2 LEU A 91 -26.594 5.632 -4.250 1.00 34.33 H new ATOM 0 HB3 LEU A 91 -26.677 5.682 -2.500 1.00 34.33 H new ATOM 0 HG LEU A 91 -29.039 6.502 -2.677 1.00 41.50 H new ATOM 0 HD11 LEU A 91 -30.281 6.205 -4.772 1.00 44.40 H new ATOM 0 HD12 LEU A 91 -29.027 7.460 -4.906 1.00 44.40 H new ATOM 0 HD13 LEU A 91 -28.756 5.853 -5.620 1.00 44.40 H new ATOM 0 HD21 LEU A 91 -29.949 4.251 -3.338 1.00 63.11 H new ATOM 0 HD22 LEU A 91 -28.383 3.858 -4.086 1.00 63.11 H new ATOM 0 HD23 LEU A 91 -28.495 4.095 -2.325 1.00 63.11 H new TER 1329 LEU A 91