USER MOD reduce.3.24.130724 H: found=0, std=0, add=551, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 550 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 92 THR OG1 : rot -169:sc= 0.886 USER MOD Set 1.2: A 98 THR OG1 : rot -140:sc= 0.708 USER MOD Set 2.1: A 66 THR OG1 : rot -166:sc= -0.0274 USER MOD Set 2.2: A 68 GLN :FLIP amide:sc= 0.0915 F(o=-1.5,f=0.064) USER MOD Set 3.1: A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 46 GLN : amide:sc= 0.589 K(o=0.59,f=-0.49) USER MOD Single : A 48 SER OG : rot 180:sc= -0.0691 USER MOD Single : A 49 THR OG1 : rot 34:sc= 0.193 USER MOD Single : A 50 GLN : amide:sc= -0.343 K(o=-0.34,f=-1.3) USER MOD Single : A 51 ASN : amide:sc= 0.897 K(o=0.9,f=-0.14) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.0157 X(o=-0.016,f=0) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0116 USER MOD Single : A 69 MET CE :methyl -151:sc= -0.0444 (180deg=-0.334) USER MOD Single : A 72 THR OG1 : rot 66:sc= 0.874 USER MOD Single : A 74 GLN : amide:sc= 0.823 K(o=0.82,f=-0.15) USER MOD Single : A 75 ASN : amide:sc= -0.197 X(o=-0.2,f=-0.047) USER MOD Single : A 79 ASN : amide:sc= 0.708 K(o=0.71,f=-0.014) USER MOD Single : A 81 HIS : no HD1:sc= -2.23! C(o=-2.2!,f=-8.4!) USER MOD Single : A 84 GLN : amide:sc= 1.63 K(o=1.6,f=-6.9!) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot -169:sc= 0.504 USER MOD Single : A 91 ASN : amide:sc= 0.995 K(o=1,f=0) USER MOD Single : A 94 SER OG : rot 180:sc= -0.0021 USER MOD Single : A 102 TYR OH : rot 180:sc=-0.00873 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 41 40.816 -1.425 -26.948 1.00 35.20 N ATOM 2 CA GLY A 41 39.687 -1.023 -26.088 1.00 41.14 C ATOM 3 C GLY A 41 39.212 -2.225 -25.289 1.00 60.21 C ATOM 4 O GLY A 41 39.848 -3.272 -25.368 1.00 12.34 O ATOM 0 HA2 GLY A 41 39.995 -0.223 -25.415 1.00 41.14 H new ATOM 0 HA3 GLY A 41 38.872 -0.632 -26.697 1.00 41.14 H new ATOM 8 N ALA A 42 38.147 -2.074 -24.500 1.00 44.12 N ATOM 9 CA ALA A 42 37.559 -3.126 -23.684 1.00 35.53 C ATOM 10 C ALA A 42 36.052 -2.876 -23.648 1.00 21.10 C ATOM 11 O ALA A 42 35.627 -1.731 -23.810 1.00 52.22 O ATOM 12 CB ALA A 42 38.153 -3.091 -22.269 1.00 75.33 C ATOM 0 H ALA A 42 37.657 -1.184 -24.412 1.00 44.12 H new ATOM 0 HA ALA A 42 37.771 -4.111 -24.101 1.00 35.53 H new ATOM 0 HB1 ALA A 42 37.706 -3.882 -21.667 1.00 75.33 H new ATOM 0 HB2 ALA A 42 39.231 -3.241 -22.323 1.00 75.33 H new ATOM 0 HB3 ALA A 42 37.944 -2.124 -21.811 1.00 75.33 H new ATOM 18 N MET A 43 35.262 -3.924 -23.414 1.00 22.23 N ATOM 19 CA MET A 43 33.807 -3.838 -23.363 1.00 32.20 C ATOM 20 C MET A 43 33.364 -3.286 -22.004 1.00 21.21 C ATOM 21 O MET A 43 32.882 -4.025 -21.140 1.00 24.12 O ATOM 22 CB MET A 43 33.180 -5.207 -23.689 1.00 62.11 C ATOM 23 CG MET A 43 33.615 -5.775 -25.048 1.00 23.23 C ATOM 24 SD MET A 43 33.428 -4.668 -26.475 1.00 51.21 S ATOM 25 CE MET A 43 31.618 -4.550 -26.571 1.00 0.34 C ATOM 0 H MET A 43 35.620 -4.865 -23.253 1.00 22.23 H new ATOM 0 HA MET A 43 33.450 -3.142 -24.122 1.00 32.20 H new ATOM 0 HB2 MET A 43 33.448 -5.916 -22.906 1.00 62.11 H new ATOM 0 HB3 MET A 43 32.094 -5.112 -23.675 1.00 62.11 H new ATOM 0 HG2 MET A 43 34.662 -6.069 -24.977 1.00 23.23 H new ATOM 0 HG3 MET A 43 33.041 -6.682 -25.240 1.00 23.23 H new ATOM 0 HE1 MET A 43 31.339 -3.902 -27.402 1.00 0.34 H new ATOM 0 HE2 MET A 43 31.196 -5.543 -26.728 1.00 0.34 H new ATOM 0 HE3 MET A 43 31.231 -4.135 -25.641 1.00 0.34 H new ATOM 35 N GLY A 44 33.556 -1.984 -21.800 1.00 14.33 N ATOM 36 CA GLY A 44 33.200 -1.270 -20.582 1.00 52.02 C ATOM 37 C GLY A 44 32.598 0.078 -20.964 1.00 43.23 C ATOM 38 O GLY A 44 31.438 0.080 -21.380 1.00 2.31 O ATOM 0 H GLY A 44 33.978 -1.379 -22.504 1.00 14.33 H new ATOM 0 HA2 GLY A 44 32.486 -1.851 -19.998 1.00 52.02 H new ATOM 0 HA3 GLY A 44 34.081 -1.127 -19.957 1.00 52.02 H new ATOM 42 N PRO A 45 33.354 1.189 -20.887 1.00 41.54 N ATOM 43 CA PRO A 45 32.864 2.521 -21.220 1.00 51.02 C ATOM 44 C PRO A 45 32.451 2.603 -22.691 1.00 12.31 C ATOM 45 O PRO A 45 33.286 2.573 -23.592 1.00 5.00 O ATOM 46 CB PRO A 45 33.981 3.500 -20.843 1.00 41.23 C ATOM 47 CG PRO A 45 35.241 2.639 -20.872 1.00 65.14 C ATOM 48 CD PRO A 45 34.730 1.272 -20.422 1.00 70.34 C ATOM 0 HA PRO A 45 31.960 2.773 -20.666 1.00 51.02 H new ATOM 0 HB2 PRO A 45 34.045 4.327 -21.550 1.00 41.23 H new ATOM 0 HB3 PRO A 45 33.816 3.936 -19.858 1.00 41.23 H new ATOM 0 HG2 PRO A 45 35.680 2.598 -21.869 1.00 65.14 H new ATOM 0 HG3 PRO A 45 36.009 3.024 -20.201 1.00 65.14 H new ATOM 0 HD2 PRO A 45 35.335 0.470 -20.845 1.00 70.34 H new ATOM 0 HD3 PRO A 45 34.783 1.173 -19.338 1.00 70.34 H new ATOM 56 N GLN A 46 31.141 2.670 -22.911 1.00 43.34 N ATOM 57 CA GLN A 46 30.448 2.760 -24.186 1.00 33.52 C ATOM 58 C GLN A 46 29.238 3.643 -23.860 1.00 51.31 C ATOM 59 O GLN A 46 28.477 3.288 -22.958 1.00 24.13 O ATOM 60 CB GLN A 46 29.996 1.352 -24.624 1.00 52.23 C ATOM 61 CG GLN A 46 31.104 0.345 -24.980 1.00 24.23 C ATOM 62 CD GLN A 46 30.616 -1.101 -24.841 1.00 1.41 C ATOM 63 OE1 GLN A 46 30.149 -1.730 -25.785 1.00 53.21 O ATOM 64 NE2 GLN A 46 30.712 -1.667 -23.647 1.00 71.55 N ATOM 0 H GLN A 46 30.483 2.662 -22.132 1.00 43.34 H new ATOM 0 HA GLN A 46 31.057 3.161 -24.996 1.00 33.52 H new ATOM 0 HB2 GLN A 46 29.394 0.924 -23.823 1.00 52.23 H new ATOM 0 HB3 GLN A 46 29.344 1.459 -25.491 1.00 52.23 H new ATOM 0 HG2 GLN A 46 31.441 0.520 -26.002 1.00 24.23 H new ATOM 0 HG3 GLN A 46 31.964 0.504 -24.329 1.00 24.23 H new ATOM 0 HE21 GLN A 46 31.101 -1.142 -22.864 1.00 71.55 H new ATOM 0 HE22 GLN A 46 30.397 -2.628 -23.511 1.00 71.55 H new ATOM 73 N GLY A 47 29.024 4.772 -24.541 1.00 32.34 N ATOM 74 CA GLY A 47 27.895 5.653 -24.244 1.00 3.34 C ATOM 75 C GLY A 47 27.490 6.458 -25.467 1.00 73.21 C ATOM 76 O GLY A 47 28.057 7.516 -25.743 1.00 21.22 O ATOM 0 H GLY A 47 29.620 5.097 -25.303 1.00 32.34 H new ATOM 0 HA2 GLY A 47 27.048 5.060 -23.899 1.00 3.34 H new ATOM 0 HA3 GLY A 47 28.162 6.329 -23.432 1.00 3.34 H new ATOM 80 N SER A 48 26.517 5.963 -26.225 1.00 1.41 N ATOM 81 CA SER A 48 26.000 6.590 -27.440 1.00 52.42 C ATOM 82 C SER A 48 24.514 6.239 -27.614 1.00 13.55 C ATOM 83 O SER A 48 23.890 5.680 -26.702 1.00 64.31 O ATOM 84 CB SER A 48 26.841 6.123 -28.643 1.00 63.21 C ATOM 85 OG SER A 48 28.231 6.213 -28.379 1.00 35.35 O ATOM 0 H SER A 48 26.049 5.084 -26.004 1.00 1.41 H new ATOM 0 HA SER A 48 26.076 7.675 -27.369 1.00 52.42 H new ATOM 0 HB2 SER A 48 26.583 5.093 -28.889 1.00 63.21 H new ATOM 0 HB3 SER A 48 26.596 6.729 -29.515 1.00 63.21 H new ATOM 0 HG SER A 48 28.733 5.907 -29.163 1.00 35.35 H new ATOM 91 N THR A 49 23.919 6.608 -28.748 1.00 32.43 N ATOM 92 CA THR A 49 22.526 6.333 -29.072 1.00 31.32 C ATOM 93 C THR A 49 22.309 4.818 -29.055 1.00 60.45 C ATOM 94 O THR A 49 23.063 4.112 -29.722 1.00 25.12 O ATOM 95 CB THR A 49 22.231 6.904 -30.469 1.00 73.34 C ATOM 96 OG1 THR A 49 23.252 6.518 -31.377 1.00 22.03 O ATOM 97 CG2 THR A 49 22.178 8.432 -30.455 1.00 64.02 C ATOM 0 H THR A 49 24.408 7.119 -29.483 1.00 32.43 H new ATOM 0 HA THR A 49 21.856 6.795 -28.346 1.00 31.32 H new ATOM 0 HB THR A 49 21.262 6.510 -30.776 1.00 73.34 H new ATOM 0 HG1 THR A 49 23.575 5.622 -31.145 1.00 22.03 H new ATOM 0 HG21 THR A 49 21.967 8.798 -31.460 1.00 64.02 H new ATOM 0 HG22 THR A 49 21.392 8.763 -29.776 1.00 64.02 H new ATOM 0 HG23 THR A 49 23.137 8.826 -30.119 1.00 64.02 H new ATOM 105 N GLN A 50 21.320 4.332 -28.296 1.00 14.13 N ATOM 106 CA GLN A 50 20.966 2.914 -28.163 1.00 31.42 C ATOM 107 C GLN A 50 22.178 1.995 -27.946 1.00 13.01 C ATOM 108 O GLN A 50 22.236 0.875 -28.454 1.00 63.15 O ATOM 109 CB GLN A 50 20.038 2.495 -29.320 1.00 2.34 C ATOM 110 CG GLN A 50 18.726 3.294 -29.409 1.00 25.32 C ATOM 111 CD GLN A 50 17.896 3.189 -28.131 1.00 71.43 C ATOM 112 OE1 GLN A 50 18.231 3.787 -27.112 1.00 25.11 O ATOM 113 NE2 GLN A 50 16.831 2.403 -28.129 1.00 23.43 N ATOM 0 H GLN A 50 20.721 4.939 -27.736 1.00 14.13 H new ATOM 0 HA GLN A 50 20.401 2.787 -27.239 1.00 31.42 H new ATOM 0 HB2 GLN A 50 20.579 2.604 -30.260 1.00 2.34 H new ATOM 0 HB3 GLN A 50 19.798 1.437 -29.211 1.00 2.34 H new ATOM 0 HG2 GLN A 50 18.954 4.341 -29.607 1.00 25.32 H new ATOM 0 HG3 GLN A 50 18.138 2.931 -30.252 1.00 25.32 H new ATOM 0 HE21 GLN A 50 16.560 1.910 -28.980 1.00 23.43 H new ATOM 0 HE22 GLN A 50 16.282 2.290 -27.277 1.00 23.43 H new ATOM 122 N ASN A 51 23.144 2.483 -27.161 1.00 41.51 N ATOM 123 CA ASN A 51 24.367 1.772 -26.818 1.00 14.22 C ATOM 124 C ASN A 51 24.003 0.477 -26.086 1.00 1.42 C ATOM 125 O ASN A 51 23.292 0.496 -25.077 1.00 73.20 O ATOM 126 CB ASN A 51 25.312 2.679 -26.013 1.00 4.35 C ATOM 127 CG ASN A 51 24.853 2.948 -24.577 1.00 15.22 C ATOM 128 OD1 ASN A 51 25.127 2.192 -23.643 1.00 4.33 O ATOM 129 ND2 ASN A 51 24.135 4.041 -24.376 1.00 74.43 N ATOM 0 H ASN A 51 23.089 3.410 -26.738 1.00 41.51 H new ATOM 0 HA ASN A 51 24.913 1.498 -27.721 1.00 14.22 H new ATOM 0 HB2 ASN A 51 26.301 2.222 -25.987 1.00 4.35 H new ATOM 0 HB3 ASN A 51 25.415 3.631 -26.534 1.00 4.35 H new ATOM 0 HD21 ASN A 51 23.801 4.267 -23.439 1.00 74.43 H new ATOM 0 HD22 ASN A 51 23.916 4.658 -25.158 1.00 74.43 H new ATOM 136 N ALA A 52 24.465 -0.651 -26.620 1.00 41.41 N ATOM 137 CA ALA A 52 24.226 -1.981 -26.090 1.00 63.13 C ATOM 138 C ALA A 52 25.065 -2.224 -24.833 1.00 62.50 C ATOM 139 O ALA A 52 26.292 -2.303 -24.918 1.00 23.20 O ATOM 140 CB ALA A 52 24.582 -3.004 -27.174 1.00 15.42 C ATOM 0 H ALA A 52 25.037 -0.659 -27.465 1.00 41.41 H new ATOM 0 HA ALA A 52 23.177 -2.081 -25.811 1.00 63.13 H new ATOM 0 HB1 ALA A 52 24.409 -4.011 -26.795 1.00 15.42 H new ATOM 0 HB2 ALA A 52 23.959 -2.835 -28.052 1.00 15.42 H new ATOM 0 HB3 ALA A 52 25.632 -2.894 -27.447 1.00 15.42 H new ATOM 146 N LEU A 53 24.443 -2.288 -23.657 1.00 11.10 N ATOM 147 CA LEU A 53 25.097 -2.546 -22.370 1.00 63.30 C ATOM 148 C LEU A 53 24.100 -3.347 -21.526 1.00 0.04 C ATOM 149 O LEU A 53 23.072 -3.805 -22.022 1.00 14.41 O ATOM 150 CB LEU A 53 25.542 -1.235 -21.667 1.00 31.25 C ATOM 151 CG LEU A 53 26.914 -1.255 -20.936 1.00 61.34 C ATOM 152 CD1 LEU A 53 27.148 -2.367 -19.903 1.00 12.02 C ATOM 153 CD2 LEU A 53 28.068 -1.305 -21.932 1.00 43.02 C ATOM 0 H LEU A 53 23.435 -2.158 -23.568 1.00 11.10 H new ATOM 0 HA LEU A 53 26.018 -3.112 -22.513 1.00 63.30 H new ATOM 0 HB2 LEU A 53 25.568 -0.442 -22.415 1.00 31.25 H new ATOM 0 HB3 LEU A 53 24.776 -0.963 -20.941 1.00 31.25 H new ATOM 0 HG LEU A 53 26.881 -0.323 -20.372 1.00 61.34 H new ATOM 0 HD11 LEU A 53 28.144 -2.260 -19.472 1.00 12.02 H new ATOM 0 HD12 LEU A 53 26.401 -2.293 -19.113 1.00 12.02 H new ATOM 0 HD13 LEU A 53 27.066 -3.339 -20.390 1.00 12.02 H new ATOM 0 HD21 LEU A 53 29.015 -1.318 -21.392 1.00 43.02 H new ATOM 0 HD22 LEU A 53 27.985 -2.206 -22.540 1.00 43.02 H new ATOM 0 HD23 LEU A 53 28.030 -0.427 -22.577 1.00 43.02 H new ATOM 165 N ARG A 54 24.439 -3.601 -20.272 1.00 50.44 N ATOM 166 CA ARG A 54 23.655 -4.313 -19.275 1.00 72.54 C ATOM 167 C ARG A 54 23.101 -3.270 -18.308 1.00 53.12 C ATOM 168 O ARG A 54 23.443 -2.081 -18.420 1.00 62.33 O ATOM 169 CB ARG A 54 24.580 -5.310 -18.550 1.00 13.32 C ATOM 170 CG ARG A 54 25.019 -6.498 -19.421 1.00 63.14 C ATOM 171 CD ARG A 54 23.865 -7.448 -19.752 1.00 55.45 C ATOM 172 NE ARG A 54 23.282 -8.019 -18.531 1.00 42.45 N ATOM 173 CZ ARG A 54 22.086 -8.588 -18.383 1.00 23.24 C ATOM 174 NH1 ARG A 54 21.255 -8.707 -19.412 1.00 14.51 N ATOM 175 NH2 ARG A 54 21.746 -9.075 -17.196 1.00 1.12 N ATOM 0 H ARG A 54 25.336 -3.292 -19.897 1.00 50.44 H new ATOM 0 HA ARG A 54 22.831 -4.871 -19.719 1.00 72.54 H new ATOM 0 HB2 ARG A 54 25.467 -4.780 -18.201 1.00 13.32 H new ATOM 0 HB3 ARG A 54 24.067 -5.690 -17.666 1.00 13.32 H new ATOM 0 HG2 ARG A 54 25.452 -6.123 -20.348 1.00 63.14 H new ATOM 0 HG3 ARG A 54 25.803 -7.052 -18.904 1.00 63.14 H new ATOM 0 HD2 ARG A 54 23.097 -6.911 -20.309 1.00 55.45 H new ATOM 0 HD3 ARG A 54 24.224 -8.250 -20.397 1.00 55.45 H new ATOM 0 HE ARG A 54 23.863 -7.975 -17.694 1.00 42.45 H new ATOM 0 HH11 ARG A 54 21.529 -8.361 -20.331 1.00 14.51 H new ATOM 0 HH12 ARG A 54 20.343 -9.145 -19.283 1.00 14.51 H new ATOM 0 HH21 ARG A 54 22.397 -9.011 -16.413 1.00 1.12 H new ATOM 0 HH22 ARG A 54 20.834 -9.513 -17.067 1.00 1.12 H new ATOM 189 N ARG A 55 22.249 -3.676 -17.365 1.00 30.11 N ATOM 190 CA ARG A 55 21.685 -2.765 -16.382 1.00 52.22 C ATOM 191 C ARG A 55 21.800 -3.381 -15.001 1.00 63.21 C ATOM 192 O ARG A 55 20.890 -4.074 -14.550 1.00 50.12 O ATOM 193 CB ARG A 55 20.243 -2.344 -16.737 1.00 12.21 C ATOM 194 CG ARG A 55 19.551 -1.428 -15.699 1.00 52.42 C ATOM 195 CD ARG A 55 19.976 0.052 -15.665 1.00 61.13 C ATOM 196 NE ARG A 55 21.396 0.266 -15.333 1.00 40.42 N ATOM 197 CZ ARG A 55 22.372 0.637 -16.176 1.00 54.40 C ATOM 198 NH1 ARG A 55 22.142 0.812 -17.475 1.00 11.02 N ATOM 199 NH2 ARG A 55 23.604 0.797 -15.712 1.00 10.35 N ATOM 0 H ARG A 55 21.935 -4.641 -17.266 1.00 30.11 H new ATOM 0 HA ARG A 55 22.259 -1.838 -16.388 1.00 52.22 H new ATOM 0 HB2 ARG A 55 20.257 -1.831 -17.699 1.00 12.21 H new ATOM 0 HB3 ARG A 55 19.640 -3.243 -16.864 1.00 12.21 H new ATOM 0 HG2 ARG A 55 18.477 -1.466 -15.880 1.00 52.42 H new ATOM 0 HG3 ARG A 55 19.723 -1.851 -14.709 1.00 52.42 H new ATOM 0 HD2 ARG A 55 19.770 0.500 -16.637 1.00 61.13 H new ATOM 0 HD3 ARG A 55 19.361 0.578 -14.935 1.00 61.13 H new ATOM 0 HE ARG A 55 21.665 0.116 -14.361 1.00 40.42 H new ATOM 0 HH11 ARG A 55 21.206 0.664 -17.852 1.00 11.02 H new ATOM 0 HH12 ARG A 55 22.902 1.094 -18.094 1.00 11.02 H new ATOM 0 HH21 ARG A 55 23.801 0.638 -14.724 1.00 10.35 H new ATOM 0 HH22 ARG A 55 24.354 1.079 -16.343 1.00 10.35 H new ATOM 213 N THR A 56 22.945 -3.184 -14.356 1.00 41.14 N ATOM 214 CA THR A 56 23.144 -3.671 -13.004 1.00 31.35 C ATOM 215 C THR A 56 22.220 -2.803 -12.126 1.00 3.43 C ATOM 216 O THR A 56 21.912 -1.656 -12.490 1.00 13.42 O ATOM 217 CB THR A 56 24.646 -3.597 -12.653 1.00 52.34 C ATOM 218 OG1 THR A 56 24.933 -4.184 -11.400 1.00 2.02 O ATOM 219 CG2 THR A 56 25.262 -2.192 -12.706 1.00 23.14 C ATOM 0 H THR A 56 23.746 -2.691 -14.751 1.00 41.14 H new ATOM 0 HA THR A 56 22.882 -4.719 -12.854 1.00 31.35 H new ATOM 0 HB THR A 56 25.116 -4.173 -13.450 1.00 52.34 H new ATOM 0 HG1 THR A 56 25.894 -4.116 -11.219 1.00 2.02 H new ATOM 0 HG21 THR A 56 26.318 -2.248 -12.444 1.00 23.14 H new ATOM 0 HG22 THR A 56 25.159 -1.787 -13.713 1.00 23.14 H new ATOM 0 HG23 THR A 56 24.746 -1.542 -11.999 1.00 23.14 H new ATOM 227 N GLY A 57 21.807 -3.309 -10.964 1.00 15.10 N ATOM 228 CA GLY A 57 20.926 -2.595 -10.048 1.00 21.24 C ATOM 229 C GLY A 57 19.690 -3.428 -9.730 1.00 23.33 C ATOM 230 O GLY A 57 19.678 -4.646 -9.929 1.00 45.31 O ATOM 0 H GLY A 57 22.079 -4.234 -10.632 1.00 15.10 H new ATOM 0 HA2 GLY A 57 21.461 -2.363 -9.127 1.00 21.24 H new ATOM 0 HA3 GLY A 57 20.626 -1.645 -10.490 1.00 21.24 H new ATOM 234 N ARG A 58 18.670 -2.784 -9.157 1.00 72.51 N ATOM 235 CA ARG A 58 17.396 -3.397 -8.785 1.00 71.50 C ATOM 236 C ARG A 58 16.325 -2.567 -9.476 1.00 64.42 C ATOM 237 O ARG A 58 16.183 -1.381 -9.186 1.00 62.41 O ATOM 238 CB ARG A 58 17.193 -3.452 -7.258 1.00 65.12 C ATOM 239 CG ARG A 58 18.233 -4.325 -6.518 1.00 74.22 C ATOM 240 CD ARG A 58 19.110 -3.526 -5.543 1.00 71.32 C ATOM 241 NE ARG A 58 19.682 -2.339 -6.199 1.00 34.24 N ATOM 242 CZ ARG A 58 19.958 -1.182 -5.595 1.00 41.11 C ATOM 243 NH1 ARG A 58 20.144 -1.132 -4.285 1.00 5.11 N ATOM 244 NH2 ARG A 58 20.046 -0.075 -6.318 1.00 51.33 N ATOM 0 H ARG A 58 18.711 -1.790 -8.933 1.00 72.51 H new ATOM 0 HA ARG A 58 17.356 -4.439 -9.101 1.00 71.50 H new ATOM 0 HB2 ARG A 58 17.235 -2.438 -6.859 1.00 65.12 H new ATOM 0 HB3 ARG A 58 16.195 -3.837 -7.048 1.00 65.12 H new ATOM 0 HG2 ARG A 58 17.714 -5.110 -5.969 1.00 74.22 H new ATOM 0 HG3 ARG A 58 18.872 -4.817 -7.251 1.00 74.22 H new ATOM 0 HD2 ARG A 58 18.516 -3.219 -4.682 1.00 71.32 H new ATOM 0 HD3 ARG A 58 19.913 -4.160 -5.167 1.00 71.32 H new ATOM 0 HE ARG A 58 19.884 -2.407 -7.197 1.00 34.24 H new ATOM 0 HH11 ARG A 58 20.077 -1.983 -3.727 1.00 5.11 H new ATOM 0 HH12 ARG A 58 20.355 -0.242 -3.833 1.00 5.11 H new ATOM 0 HH21 ARG A 58 19.903 -0.112 -7.327 1.00 51.33 H new ATOM 0 HH22 ARG A 58 20.257 0.814 -5.865 1.00 51.33 H new ATOM 258 N VAL A 59 15.590 -3.176 -10.396 1.00 52.53 N ATOM 259 CA VAL A 59 14.532 -2.550 -11.187 1.00 73.03 C ATOM 260 C VAL A 59 13.191 -2.433 -10.441 1.00 10.41 C ATOM 261 O VAL A 59 12.149 -2.306 -11.080 1.00 73.13 O ATOM 262 CB VAL A 59 14.408 -3.318 -12.525 1.00 60.31 C ATOM 263 CG1 VAL A 59 15.717 -3.218 -13.327 1.00 50.20 C ATOM 264 CG2 VAL A 59 14.045 -4.798 -12.312 1.00 50.14 C ATOM 0 H VAL A 59 15.718 -4.162 -10.624 1.00 52.53 H new ATOM 0 HA VAL A 59 14.810 -1.515 -11.384 1.00 73.03 H new ATOM 0 HB VAL A 59 13.598 -2.851 -13.086 1.00 60.31 H new ATOM 0 HG11 VAL A 59 15.612 -3.764 -14.265 1.00 50.20 H new ATOM 0 HG12 VAL A 59 15.935 -2.171 -13.539 1.00 50.20 H new ATOM 0 HG13 VAL A 59 16.533 -3.648 -12.747 1.00 50.20 H new ATOM 0 HG21 VAL A 59 13.969 -5.297 -13.278 1.00 50.14 H new ATOM 0 HG22 VAL A 59 14.819 -5.280 -11.715 1.00 50.14 H new ATOM 0 HG23 VAL A 59 13.090 -4.867 -11.792 1.00 50.14 H new ATOM 274 N ASN A 60 13.181 -2.458 -9.103 1.00 1.12 N ATOM 275 CA ASN A 60 11.946 -2.376 -8.318 1.00 25.42 C ATOM 276 C ASN A 60 11.055 -1.193 -8.667 1.00 33.22 C ATOM 277 O ASN A 60 9.843 -1.375 -8.726 1.00 55.42 O ATOM 278 CB ASN A 60 12.231 -2.361 -6.810 1.00 44.25 C ATOM 279 CG ASN A 60 12.557 -3.747 -6.304 1.00 23.31 C ATOM 280 OD1 ASN A 60 13.692 -4.029 -5.920 1.00 71.45 O ATOM 281 ND2 ASN A 60 11.590 -4.647 -6.347 1.00 70.44 N ATOM 0 H ASN A 60 14.026 -2.535 -8.537 1.00 1.12 H new ATOM 0 HA ASN A 60 11.399 -3.280 -8.587 1.00 25.42 H new ATOM 0 HB2 ASN A 60 13.063 -1.689 -6.601 1.00 44.25 H new ATOM 0 HB3 ASN A 60 11.364 -1.970 -6.277 1.00 44.25 H new ATOM 0 HD21 ASN A 60 11.774 -5.607 -6.057 1.00 70.44 H new ATOM 0 HD22 ASN A 60 10.660 -4.381 -6.670 1.00 70.44 H new ATOM 288 N GLY A 61 11.630 -0.022 -8.935 1.00 73.23 N ATOM 289 CA GLY A 61 10.889 1.187 -9.263 1.00 3.30 C ATOM 290 C GLY A 61 11.095 2.134 -8.096 1.00 40.34 C ATOM 291 O GLY A 61 11.777 3.148 -8.256 1.00 2.43 O ATOM 0 H GLY A 61 12.641 0.112 -8.929 1.00 73.23 H new ATOM 0 HA2 GLY A 61 11.252 1.627 -10.192 1.00 3.30 H new ATOM 0 HA3 GLY A 61 9.831 0.969 -9.406 1.00 3.30 H new ATOM 295 N GLY A 62 10.560 1.771 -6.930 1.00 23.43 N ATOM 296 CA GLY A 62 10.656 2.501 -5.679 1.00 33.01 C ATOM 297 C GLY A 62 11.497 1.669 -4.718 1.00 73.44 C ATOM 298 O GLY A 62 12.444 0.998 -5.136 1.00 41.14 O ATOM 0 H GLY A 62 10.019 0.911 -6.835 1.00 23.43 H new ATOM 0 HA2 GLY A 62 11.114 3.477 -5.840 1.00 33.01 H new ATOM 0 HA3 GLY A 62 9.664 2.679 -5.263 1.00 33.01 H new ATOM 302 N HIS A 63 11.216 1.790 -3.429 1.00 13.01 N ATOM 303 CA HIS A 63 11.881 1.060 -2.355 1.00 53.55 C ATOM 304 C HIS A 63 11.440 -0.408 -2.438 1.00 72.13 C ATOM 305 O HIS A 63 10.315 -0.664 -2.858 1.00 72.41 O ATOM 306 CB HIS A 63 11.444 1.654 -1.008 1.00 53.14 C ATOM 307 CG HIS A 63 11.868 3.087 -0.813 1.00 34.32 C ATOM 308 ND1 HIS A 63 13.157 3.536 -0.618 1.00 13.35 N ATOM 309 CD2 HIS A 63 11.029 4.161 -0.711 1.00 51.31 C ATOM 310 CE1 HIS A 63 13.094 4.855 -0.364 1.00 53.54 C ATOM 311 NE2 HIS A 63 11.819 5.279 -0.433 1.00 35.10 N ATOM 0 H HIS A 63 10.492 2.422 -3.088 1.00 13.01 H new ATOM 0 HA HIS A 63 12.965 1.133 -2.447 1.00 53.55 H new ATOM 0 HB2 HIS A 63 10.359 1.591 -0.928 1.00 53.14 H new ATOM 0 HB3 HIS A 63 11.859 1.049 -0.202 1.00 53.14 H new ATOM 0 HD2 HIS A 63 9.955 4.148 -0.824 1.00 51.31 H new ATOM 0 HE1 HIS A 63 13.943 5.483 -0.138 1.00 53.54 H new ATOM 0 HE2 HIS A 63 11.491 6.236 -0.306 1.00 35.10 H new ATOM 319 N PRO A 64 12.250 -1.395 -2.029 1.00 5.42 N ATOM 320 CA PRO A 64 11.854 -2.792 -2.092 1.00 14.13 C ATOM 321 C PRO A 64 10.831 -3.121 -1.003 1.00 51.33 C ATOM 322 O PRO A 64 10.956 -2.681 0.145 1.00 11.33 O ATOM 323 CB PRO A 64 13.143 -3.585 -1.886 1.00 72.34 C ATOM 324 CG PRO A 64 14.007 -2.652 -1.038 1.00 62.34 C ATOM 325 CD PRO A 64 13.598 -1.261 -1.515 1.00 43.10 C ATOM 0 HA PRO A 64 11.376 -3.034 -3.041 1.00 14.13 H new ATOM 0 HB2 PRO A 64 12.955 -4.530 -1.377 1.00 72.34 H new ATOM 0 HB3 PRO A 64 13.623 -3.824 -2.835 1.00 72.34 H new ATOM 0 HG2 PRO A 64 13.815 -2.784 0.027 1.00 62.34 H new ATOM 0 HG3 PRO A 64 15.070 -2.835 -1.196 1.00 62.34 H new ATOM 0 HD2 PRO A 64 13.634 -0.542 -0.697 1.00 43.10 H new ATOM 0 HD3 PRO A 64 14.276 -0.899 -2.288 1.00 43.10 H new ATOM 333 N VAL A 65 9.866 -3.974 -1.333 1.00 23.40 N ATOM 334 CA VAL A 65 8.810 -4.418 -0.421 1.00 71.25 C ATOM 335 C VAL A 65 8.739 -5.945 -0.427 1.00 13.43 C ATOM 336 O VAL A 65 9.276 -6.606 -1.322 1.00 71.20 O ATOM 337 CB VAL A 65 7.465 -3.728 -0.741 1.00 42.41 C ATOM 338 CG1 VAL A 65 7.640 -2.206 -0.791 1.00 51.13 C ATOM 339 CG2 VAL A 65 6.799 -4.183 -2.047 1.00 41.13 C ATOM 0 H VAL A 65 9.792 -4.387 -2.263 1.00 23.40 H new ATOM 0 HA VAL A 65 9.049 -4.114 0.598 1.00 71.25 H new ATOM 0 HB VAL A 65 6.803 -4.028 0.072 1.00 42.41 H new ATOM 0 HG11 VAL A 65 6.683 -1.737 -1.018 1.00 51.13 H new ATOM 0 HG12 VAL A 65 8.000 -1.849 0.174 1.00 51.13 H new ATOM 0 HG13 VAL A 65 8.363 -1.948 -1.565 1.00 51.13 H new ATOM 0 HG21 VAL A 65 5.862 -3.643 -2.185 1.00 41.13 H new ATOM 0 HG22 VAL A 65 7.464 -3.976 -2.886 1.00 41.13 H new ATOM 0 HG23 VAL A 65 6.598 -5.253 -1.999 1.00 41.13 H new ATOM 349 N THR A 66 8.057 -6.508 0.565 1.00 25.12 N ATOM 350 CA THR A 66 7.871 -7.937 0.754 1.00 73.02 C ATOM 351 C THR A 66 6.378 -8.242 0.830 1.00 41.12 C ATOM 352 O THR A 66 5.576 -7.351 1.133 1.00 45.31 O ATOM 353 CB THR A 66 8.573 -8.361 2.057 1.00 41.25 C ATOM 354 OG1 THR A 66 8.239 -7.464 3.098 1.00 54.22 O ATOM 355 CG2 THR A 66 10.095 -8.416 1.912 1.00 12.30 C ATOM 0 H THR A 66 7.600 -5.954 1.289 1.00 25.12 H new ATOM 0 HA THR A 66 8.301 -8.490 -0.081 1.00 73.02 H new ATOM 0 HB THR A 66 8.225 -9.367 2.293 1.00 41.25 H new ATOM 0 HG1 THR A 66 8.848 -7.599 3.854 1.00 54.22 H new ATOM 0 HG21 THR A 66 10.540 -8.720 2.859 1.00 12.30 H new ATOM 0 HG22 THR A 66 10.361 -9.136 1.138 1.00 12.30 H new ATOM 0 HG23 THR A 66 10.470 -7.431 1.635 1.00 12.30 H new ATOM 363 N THR A 67 6.017 -9.514 0.647 1.00 71.42 N ATOM 364 CA THR A 67 4.642 -9.988 0.702 1.00 53.45 C ATOM 365 C THR A 67 3.968 -9.555 2.014 1.00 21.32 C ATOM 366 O THR A 67 2.806 -9.140 1.981 1.00 64.12 O ATOM 367 CB THR A 67 4.648 -11.521 0.524 1.00 42.42 C ATOM 368 OG1 THR A 67 5.441 -11.876 -0.600 1.00 70.51 O ATOM 369 CG2 THR A 67 3.245 -12.106 0.350 1.00 42.24 C ATOM 0 H THR A 67 6.690 -10.255 0.453 1.00 71.42 H new ATOM 0 HA THR A 67 4.056 -9.544 -0.103 1.00 53.45 H new ATOM 0 HB THR A 67 5.068 -11.939 1.439 1.00 42.42 H new ATOM 0 HG1 THR A 67 5.441 -12.850 -0.705 1.00 70.51 H new ATOM 0 HG21 THR A 67 3.314 -13.187 0.229 1.00 42.24 H new ATOM 0 HG22 THR A 67 2.644 -11.877 1.230 1.00 42.24 H new ATOM 0 HG23 THR A 67 2.777 -11.672 -0.533 1.00 42.24 H new ATOM 377 N GLN A 68 4.696 -9.586 3.145 1.00 64.21 N ATOM 378 CA GLN A 68 4.148 -9.209 4.445 1.00 61.13 C ATOM 379 C GLN A 68 3.664 -7.777 4.463 1.00 43.40 C ATOM 380 O GLN A 68 2.580 -7.533 4.970 1.00 21.32 O ATOM 381 CB GLN A 68 5.104 -9.405 5.640 1.00 43.11 C ATOM 382 CG GLN A 68 6.524 -8.818 5.545 1.00 62.23 C ATOM 383 CD GLN A 68 7.606 -9.804 5.089 1.00 34.24 C ATOM 384 OE1 GLN A 68 7.275 -10.871 4.373 1.00 22.21 O flip ATOM 385 NE2 GLN A 68 8.782 -9.621 5.401 1.00 34.21 N flip ATOM 0 H GLN A 68 5.674 -9.872 3.176 1.00 64.21 H new ATOM 0 HA GLN A 68 3.316 -9.902 4.573 1.00 61.13 H new ATOM 0 HB2 GLN A 68 4.626 -8.977 6.521 1.00 43.11 H new ATOM 0 HB3 GLN A 68 5.199 -10.476 5.817 1.00 43.11 H new ATOM 0 HG2 GLN A 68 6.507 -7.976 4.853 1.00 62.23 H new ATOM 0 HG3 GLN A 68 6.803 -8.422 6.522 1.00 62.23 H new ATOM 0 HE21 GLN A 68 9.042 -8.803 5.951 1.00 34.21 H new ATOM 0 HE22 GLN A 68 9.497 -10.288 5.109 1.00 34.21 H new ATOM 394 N MET A 69 4.424 -6.829 3.913 1.00 33.31 N ATOM 395 CA MET A 69 3.979 -5.449 3.949 1.00 73.24 C ATOM 396 C MET A 69 2.629 -5.296 3.238 1.00 24.54 C ATOM 397 O MET A 69 1.781 -4.521 3.691 1.00 1.00 O ATOM 398 CB MET A 69 5.094 -4.542 3.422 1.00 20.35 C ATOM 399 CG MET A 69 6.286 -4.559 4.395 1.00 72.54 C ATOM 400 SD MET A 69 7.313 -3.065 4.546 1.00 1.35 S ATOM 401 CE MET A 69 7.299 -2.348 2.888 1.00 63.32 C ATOM 0 H MET A 69 5.320 -6.989 3.453 1.00 33.31 H new ATOM 0 HA MET A 69 3.789 -5.130 4.974 1.00 73.24 H new ATOM 0 HB2 MET A 69 5.413 -4.879 2.436 1.00 20.35 H new ATOM 0 HB3 MET A 69 4.722 -3.524 3.306 1.00 20.35 H new ATOM 0 HG2 MET A 69 5.900 -4.796 5.386 1.00 72.54 H new ATOM 0 HG3 MET A 69 6.939 -5.381 4.103 1.00 72.54 H new ATOM 0 HE1 MET A 69 8.226 -1.799 2.721 1.00 63.32 H new ATOM 0 HE2 MET A 69 7.211 -3.144 2.148 1.00 63.32 H new ATOM 0 HE3 MET A 69 6.452 -1.668 2.793 1.00 63.32 H new ATOM 411 N VAL A 70 2.407 -6.066 2.165 1.00 13.42 N ATOM 412 CA VAL A 70 1.163 -6.023 1.414 1.00 24.33 C ATOM 413 C VAL A 70 0.025 -6.523 2.304 1.00 54.53 C ATOM 414 O VAL A 70 -0.983 -5.827 2.449 1.00 24.45 O ATOM 415 CB VAL A 70 1.271 -6.782 0.075 1.00 63.20 C ATOM 416 CG1 VAL A 70 0.034 -6.552 -0.797 1.00 52.13 C ATOM 417 CG2 VAL A 70 2.533 -6.430 -0.719 1.00 2.32 C ATOM 0 H VAL A 70 3.088 -6.732 1.800 1.00 13.42 H new ATOM 0 HA VAL A 70 0.943 -4.993 1.134 1.00 24.33 H new ATOM 0 HB VAL A 70 1.337 -7.837 0.341 1.00 63.20 H new ATOM 0 HG11 VAL A 70 0.142 -7.100 -1.733 1.00 52.13 H new ATOM 0 HG12 VAL A 70 -0.853 -6.904 -0.270 1.00 52.13 H new ATOM 0 HG13 VAL A 70 -0.069 -5.488 -1.010 1.00 52.13 H new ATOM 0 HG21 VAL A 70 2.548 -6.998 -1.649 1.00 2.32 H new ATOM 0 HG22 VAL A 70 2.535 -5.364 -0.945 1.00 2.32 H new ATOM 0 HG23 VAL A 70 3.415 -6.678 -0.129 1.00 2.32 H new ATOM 427 N GLU A 71 0.162 -7.708 2.908 1.00 11.42 N ATOM 428 CA GLU A 71 -0.892 -8.226 3.780 1.00 33.44 C ATOM 429 C GLU A 71 -1.072 -7.327 5.004 1.00 44.13 C ATOM 430 O GLU A 71 -2.209 -7.161 5.426 1.00 13.34 O ATOM 431 CB GLU A 71 -0.749 -9.709 4.180 1.00 42.21 C ATOM 432 CG GLU A 71 0.676 -10.222 4.223 1.00 33.43 C ATOM 433 CD GLU A 71 0.854 -11.669 4.700 1.00 54.45 C ATOM 434 OE1 GLU A 71 -0.124 -12.320 5.129 1.00 75.51 O ATOM 435 OE2 GLU A 71 1.991 -12.192 4.607 1.00 1.52 O ATOM 0 H GLU A 71 0.976 -8.315 2.811 1.00 11.42 H new ATOM 0 HA GLU A 71 -1.799 -8.201 3.176 1.00 33.44 H new ATOM 0 HB2 GLU A 71 -1.201 -9.851 5.162 1.00 42.21 H new ATOM 0 HB3 GLU A 71 -1.318 -10.317 3.476 1.00 42.21 H new ATOM 0 HG2 GLU A 71 1.103 -10.134 3.224 1.00 33.43 H new ATOM 0 HG3 GLU A 71 1.256 -9.571 4.876 1.00 33.43 H new ATOM 442 N THR A 72 -0.026 -6.721 5.576 1.00 12.25 N ATOM 443 CA THR A 72 -0.179 -5.842 6.734 1.00 15.21 C ATOM 444 C THR A 72 -1.155 -4.723 6.356 1.00 51.24 C ATOM 445 O THR A 72 -2.223 -4.632 6.970 1.00 45.42 O ATOM 446 CB THR A 72 1.165 -5.290 7.232 1.00 33.20 C ATOM 447 OG1 THR A 72 2.091 -6.320 7.509 1.00 35.14 O ATOM 448 CG2 THR A 72 0.989 -4.490 8.524 1.00 65.51 C ATOM 0 H THR A 72 0.936 -6.825 5.253 1.00 12.25 H new ATOM 0 HA THR A 72 -0.580 -6.414 7.571 1.00 15.21 H new ATOM 0 HB THR A 72 1.540 -4.656 6.429 1.00 33.20 H new ATOM 0 HG1 THR A 72 2.325 -6.782 6.677 1.00 35.14 H new ATOM 0 HG21 THR A 72 1.957 -4.112 8.853 1.00 65.51 H new ATOM 0 HG22 THR A 72 0.314 -3.653 8.345 1.00 65.51 H new ATOM 0 HG23 THR A 72 0.570 -5.134 9.297 1.00 65.51 H new ATOM 456 N VAL A 73 -0.837 -3.917 5.331 1.00 53.44 N ATOM 457 CA VAL A 73 -1.740 -2.850 4.909 1.00 74.24 C ATOM 458 C VAL A 73 -3.104 -3.454 4.625 1.00 61.42 C ATOM 459 O VAL A 73 -4.071 -2.929 5.143 1.00 43.24 O ATOM 460 CB VAL A 73 -1.253 -2.111 3.657 1.00 35.25 C ATOM 461 CG1 VAL A 73 -2.246 -1.045 3.164 1.00 55.51 C ATOM 462 CG2 VAL A 73 0.070 -1.404 3.886 1.00 35.02 C ATOM 0 H VAL A 73 0.025 -3.986 4.791 1.00 53.44 H new ATOM 0 HA VAL A 73 -1.783 -2.119 5.717 1.00 74.24 H new ATOM 0 HB VAL A 73 -1.147 -2.895 2.908 1.00 35.25 H new ATOM 0 HG11 VAL A 73 -1.845 -0.557 2.276 1.00 55.51 H new ATOM 0 HG12 VAL A 73 -3.197 -1.519 2.920 1.00 55.51 H new ATOM 0 HG13 VAL A 73 -2.401 -0.303 3.947 1.00 55.51 H new ATOM 0 HG21 VAL A 73 0.374 -0.895 2.971 1.00 35.02 H new ATOM 0 HG22 VAL A 73 -0.042 -0.674 4.687 1.00 35.02 H new ATOM 0 HG23 VAL A 73 0.830 -2.135 4.164 1.00 35.02 H new ATOM 472 N GLN A 74 -3.208 -4.550 3.870 1.00 53.10 N ATOM 473 CA GLN A 74 -4.498 -5.163 3.554 1.00 31.00 C ATOM 474 C GLN A 74 -5.329 -5.437 4.817 1.00 71.23 C ATOM 475 O GLN A 74 -6.523 -5.143 4.851 1.00 72.22 O ATOM 476 CB GLN A 74 -4.275 -6.455 2.760 1.00 54.22 C ATOM 477 CG GLN A 74 -5.558 -6.934 2.073 1.00 55.51 C ATOM 478 CD GLN A 74 -5.768 -6.241 0.735 1.00 42.33 C ATOM 479 OE1 GLN A 74 -5.191 -6.667 -0.262 1.00 11.21 O ATOM 480 NE2 GLN A 74 -6.522 -5.155 0.698 1.00 14.24 N ATOM 0 H GLN A 74 -2.407 -5.033 3.464 1.00 53.10 H new ATOM 0 HA GLN A 74 -5.067 -4.459 2.946 1.00 31.00 H new ATOM 0 HB2 GLN A 74 -3.501 -6.291 2.010 1.00 54.22 H new ATOM 0 HB3 GLN A 74 -3.910 -7.234 3.429 1.00 54.22 H new ATOM 0 HG2 GLN A 74 -5.510 -8.012 1.921 1.00 55.51 H new ATOM 0 HG3 GLN A 74 -6.413 -6.741 2.722 1.00 55.51 H new ATOM 0 HE21 GLN A 74 -6.987 -4.828 1.545 1.00 14.24 H new ATOM 0 HE22 GLN A 74 -6.638 -4.644 -0.177 1.00 14.24 H new ATOM 489 N ASN A 75 -4.721 -5.997 5.864 1.00 64.43 N ATOM 490 CA ASN A 75 -5.406 -6.300 7.118 1.00 33.53 C ATOM 491 C ASN A 75 -5.913 -5.020 7.771 1.00 62.21 C ATOM 492 O ASN A 75 -6.981 -5.023 8.388 1.00 72.13 O ATOM 493 CB ASN A 75 -4.479 -6.999 8.122 1.00 33.50 C ATOM 494 CG ASN A 75 -4.210 -8.463 7.820 1.00 45.20 C ATOM 495 OD1 ASN A 75 -5.086 -9.310 7.960 1.00 3.33 O ATOM 496 ND2 ASN A 75 -2.978 -8.800 7.471 1.00 50.43 N ATOM 0 H ASN A 75 -3.734 -6.254 5.864 1.00 64.43 H new ATOM 0 HA ASN A 75 -6.234 -6.963 6.867 1.00 33.53 H new ATOM 0 HB2 ASN A 75 -3.528 -6.467 8.150 1.00 33.50 H new ATOM 0 HB3 ASN A 75 -4.918 -6.921 9.117 1.00 33.50 H new ATOM 0 HD21 ASN A 75 -2.743 -9.780 7.313 1.00 50.43 H new ATOM 0 HD22 ASN A 75 -2.264 -8.080 7.360 1.00 50.43 H new ATOM 503 N LEU A 76 -5.156 -3.928 7.664 1.00 3.54 N ATOM 504 CA LEU A 76 -5.532 -2.646 8.255 1.00 60.21 C ATOM 505 C LEU A 76 -6.371 -1.777 7.297 1.00 63.41 C ATOM 506 O LEU A 76 -7.049 -0.865 7.764 1.00 2.42 O ATOM 507 CB LEU A 76 -4.279 -1.900 8.756 1.00 65.12 C ATOM 508 CG LEU A 76 -3.299 -2.727 9.628 1.00 22.45 C ATOM 509 CD1 LEU A 76 -2.298 -1.804 10.329 1.00 75.53 C ATOM 510 CD2 LEU A 76 -3.956 -3.637 10.677 1.00 72.22 C ATOM 0 H LEU A 76 -4.266 -3.908 7.166 1.00 3.54 H new ATOM 0 HA LEU A 76 -6.174 -2.853 9.111 1.00 60.21 H new ATOM 0 HB2 LEU A 76 -3.734 -1.523 7.890 1.00 65.12 H new ATOM 0 HB3 LEU A 76 -4.603 -1.033 9.331 1.00 65.12 H new ATOM 0 HG LEU A 76 -2.803 -3.392 8.921 1.00 22.45 H new ATOM 0 HD11 LEU A 76 -1.617 -2.400 10.937 1.00 75.53 H new ATOM 0 HD12 LEU A 76 -1.728 -1.251 9.582 1.00 75.53 H new ATOM 0 HD13 LEU A 76 -2.835 -1.103 10.968 1.00 75.53 H new ATOM 0 HD21 LEU A 76 -3.183 -4.170 11.231 1.00 72.22 H new ATOM 0 HD22 LEU A 76 -4.545 -3.032 11.366 1.00 72.22 H new ATOM 0 HD23 LEU A 76 -4.606 -4.356 10.179 1.00 72.22 H new ATOM 522 N ALA A 77 -6.415 -2.102 6.001 1.00 20.22 N ATOM 523 CA ALA A 77 -7.111 -1.435 4.910 1.00 51.01 C ATOM 524 C ALA A 77 -7.784 -2.450 3.956 1.00 41.24 C ATOM 525 O ALA A 77 -7.344 -2.627 2.814 1.00 44.42 O ATOM 526 CB ALA A 77 -6.098 -0.556 4.159 1.00 12.52 C ATOM 0 H ALA A 77 -5.912 -2.922 5.662 1.00 20.22 H new ATOM 0 HA ALA A 77 -7.912 -0.816 5.316 1.00 51.01 H new ATOM 0 HB1 ALA A 77 -6.599 -0.046 3.336 1.00 12.52 H new ATOM 0 HB2 ALA A 77 -5.680 0.183 4.843 1.00 12.52 H new ATOM 0 HB3 ALA A 77 -5.296 -1.180 3.765 1.00 12.52 H new ATOM 532 N PRO A 78 -8.894 -3.093 4.360 1.00 44.40 N ATOM 533 CA PRO A 78 -9.617 -4.079 3.539 1.00 4.23 C ATOM 534 C PRO A 78 -10.342 -3.458 2.328 1.00 14.30 C ATOM 535 O PRO A 78 -10.952 -4.155 1.513 1.00 21.24 O ATOM 536 CB PRO A 78 -10.619 -4.726 4.504 1.00 2.23 C ATOM 537 CG PRO A 78 -10.875 -3.633 5.539 1.00 51.54 C ATOM 538 CD PRO A 78 -9.511 -2.966 5.668 1.00 0.45 C ATOM 0 HA PRO A 78 -8.922 -4.794 3.098 1.00 4.23 H new ATOM 0 HB2 PRO A 78 -11.537 -5.018 3.993 1.00 2.23 H new ATOM 0 HB3 PRO A 78 -10.210 -5.626 4.963 1.00 2.23 H new ATOM 0 HG2 PRO A 78 -11.639 -2.931 5.205 1.00 51.54 H new ATOM 0 HG3 PRO A 78 -11.215 -4.046 6.489 1.00 51.54 H new ATOM 0 HD2 PRO A 78 -9.611 -1.919 5.955 1.00 0.45 H new ATOM 0 HD3 PRO A 78 -8.908 -3.451 6.436 1.00 0.45 H new ATOM 546 N ASN A 79 -10.339 -2.129 2.221 1.00 12.05 N ATOM 547 CA ASN A 79 -10.979 -1.381 1.144 1.00 31.42 C ATOM 548 C ASN A 79 -10.051 -1.204 -0.061 1.00 44.24 C ATOM 549 O ASN A 79 -10.525 -0.822 -1.132 1.00 3.23 O ATOM 550 CB ASN A 79 -11.425 -0.028 1.716 1.00 32.11 C ATOM 551 CG ASN A 79 -12.660 0.524 1.025 1.00 73.10 C ATOM 552 OD1 ASN A 79 -13.700 0.701 1.651 1.00 33.44 O ATOM 553 ND2 ASN A 79 -12.589 0.798 -0.259 1.00 43.41 N ATOM 0 H ASN A 79 -9.877 -1.527 2.903 1.00 12.05 H new ATOM 0 HA ASN A 79 -11.842 -1.935 0.774 1.00 31.42 H new ATOM 0 HB2 ASN A 79 -11.629 -0.138 2.781 1.00 32.11 H new ATOM 0 HB3 ASN A 79 -10.609 0.689 1.620 1.00 32.11 H new ATOM 0 HD21 ASN A 79 -13.406 1.163 -0.748 1.00 43.41 H new ATOM 0 HD22 ASN A 79 -11.717 0.645 -0.766 1.00 43.41 H new ATOM 560 N LEU A 80 -8.746 -1.431 0.102 1.00 61.11 N ATOM 561 CA LEU A 80 -7.769 -1.280 -0.969 1.00 42.40 C ATOM 562 C LEU A 80 -7.563 -2.586 -1.728 1.00 1.41 C ATOM 563 O LEU A 80 -7.878 -3.662 -1.228 1.00 14.32 O ATOM 564 CB LEU A 80 -6.424 -0.838 -0.365 1.00 33.14 C ATOM 565 CG LEU A 80 -6.404 0.602 0.186 1.00 30.51 C ATOM 566 CD1 LEU A 80 -5.008 0.907 0.727 1.00 42.21 C ATOM 567 CD2 LEU A 80 -6.759 1.644 -0.877 1.00 32.53 C ATOM 0 H LEU A 80 -8.338 -1.727 0.989 1.00 61.11 H new ATOM 0 HA LEU A 80 -8.145 -0.533 -1.668 1.00 42.40 H new ATOM 0 HB2 LEU A 80 -6.161 -1.524 0.440 1.00 33.14 H new ATOM 0 HB3 LEU A 80 -5.651 -0.931 -1.128 1.00 33.14 H new ATOM 0 HG LEU A 80 -7.157 0.662 0.972 1.00 30.51 H new ATOM 0 HD11 LEU A 80 -4.984 1.924 1.119 1.00 42.21 H new ATOM 0 HD12 LEU A 80 -4.765 0.205 1.524 1.00 42.21 H new ATOM 0 HD13 LEU A 80 -4.277 0.810 -0.076 1.00 42.21 H new ATOM 0 HD21 LEU A 80 -6.730 2.640 -0.435 1.00 32.53 H new ATOM 0 HD22 LEU A 80 -6.040 1.589 -1.695 1.00 32.53 H new ATOM 0 HD23 LEU A 80 -7.760 1.447 -1.260 1.00 32.53 H new ATOM 579 N HIS A 81 -7.032 -2.486 -2.945 1.00 23.22 N ATOM 580 CA HIS A 81 -6.719 -3.609 -3.814 1.00 60.23 C ATOM 581 C HIS A 81 -5.318 -4.092 -3.402 1.00 64.33 C ATOM 582 O HIS A 81 -4.487 -3.260 -3.012 1.00 13.35 O ATOM 583 CB HIS A 81 -6.691 -3.108 -5.265 1.00 44.44 C ATOM 584 CG HIS A 81 -6.623 -4.179 -6.308 1.00 5.20 C ATOM 585 ND1 HIS A 81 -5.438 -4.706 -6.797 1.00 65.14 N ATOM 586 CD2 HIS A 81 -7.676 -4.801 -6.907 1.00 22.44 C ATOM 587 CE1 HIS A 81 -5.787 -5.630 -7.705 1.00 51.14 C ATOM 588 NE2 HIS A 81 -7.130 -5.714 -7.787 1.00 22.45 N ATOM 0 H HIS A 81 -6.801 -1.585 -3.365 1.00 23.22 H new ATOM 0 HA HIS A 81 -7.450 -4.413 -3.732 1.00 60.23 H new ATOM 0 HB2 HIS A 81 -7.583 -2.507 -5.442 1.00 44.44 H new ATOM 0 HB3 HIS A 81 -5.832 -2.448 -5.388 1.00 44.44 H new ATOM 0 HD2 HIS A 81 -8.725 -4.617 -6.730 1.00 22.44 H new ATOM 0 HE1 HIS A 81 -5.093 -6.220 -8.285 1.00 51.14 H new ATOM 0 HE2 HIS A 81 -7.653 -6.344 -8.395 1.00 22.45 H new ATOM 596 N PRO A 82 -4.987 -5.386 -3.530 1.00 41.13 N ATOM 597 CA PRO A 82 -3.680 -5.903 -3.144 1.00 73.33 C ATOM 598 C PRO A 82 -2.549 -5.314 -3.983 1.00 45.00 C ATOM 599 O PRO A 82 -1.425 -5.162 -3.500 1.00 35.22 O ATOM 600 CB PRO A 82 -3.783 -7.424 -3.297 1.00 5.43 C ATOM 601 CG PRO A 82 -4.936 -7.638 -4.271 1.00 61.22 C ATOM 602 CD PRO A 82 -5.848 -6.454 -3.993 1.00 74.11 C ATOM 0 HA PRO A 82 -3.431 -5.621 -2.121 1.00 73.33 H new ATOM 0 HB2 PRO A 82 -2.855 -7.847 -3.683 1.00 5.43 H new ATOM 0 HB3 PRO A 82 -3.979 -7.906 -2.339 1.00 5.43 H new ATOM 0 HG2 PRO A 82 -4.593 -7.648 -5.306 1.00 61.22 H new ATOM 0 HG3 PRO A 82 -5.442 -8.587 -4.094 1.00 61.22 H new ATOM 0 HD2 PRO A 82 -6.388 -6.158 -4.893 1.00 74.11 H new ATOM 0 HD3 PRO A 82 -6.596 -6.706 -3.241 1.00 74.11 H new ATOM 610 N GLU A 83 -2.827 -4.960 -5.240 1.00 33.33 N ATOM 611 CA GLU A 83 -1.811 -4.408 -6.116 1.00 4.14 C ATOM 612 C GLU A 83 -1.509 -2.945 -5.818 1.00 11.34 C ATOM 613 O GLU A 83 -0.354 -2.529 -5.942 1.00 42.13 O ATOM 614 CB GLU A 83 -2.208 -4.645 -7.582 1.00 33.33 C ATOM 615 CG GLU A 83 -1.222 -5.631 -8.187 1.00 14.42 C ATOM 616 CD GLU A 83 -1.322 -5.774 -9.690 1.00 44.43 C ATOM 617 OE1 GLU A 83 -2.259 -6.445 -10.176 1.00 42.05 O ATOM 618 OE2 GLU A 83 -0.395 -5.281 -10.368 1.00 44.30 O ATOM 0 H GLU A 83 -3.749 -5.049 -5.667 1.00 33.33 H new ATOM 0 HA GLU A 83 -0.874 -4.932 -5.926 1.00 4.14 H new ATOM 0 HB2 GLU A 83 -3.223 -5.037 -7.642 1.00 33.33 H new ATOM 0 HB3 GLU A 83 -2.195 -3.706 -8.136 1.00 33.33 H new ATOM 0 HG2 GLU A 83 -0.210 -5.317 -7.931 1.00 14.42 H new ATOM 0 HG3 GLU A 83 -1.378 -6.608 -7.730 1.00 14.42 H new ATOM 625 N GLN A 84 -2.519 -2.170 -5.406 1.00 32.50 N ATOM 626 CA GLN A 84 -2.310 -0.761 -5.075 1.00 20.45 C ATOM 627 C GLN A 84 -1.326 -0.675 -3.923 1.00 24.41 C ATOM 628 O GLN A 84 -0.399 0.127 -3.942 1.00 63.12 O ATOM 629 CB GLN A 84 -3.595 -0.094 -4.585 1.00 33.43 C ATOM 630 CG GLN A 84 -4.628 0.073 -5.688 1.00 44.31 C ATOM 631 CD GLN A 84 -5.941 0.596 -5.128 1.00 50.45 C ATOM 632 OE1 GLN A 84 -6.704 -0.110 -4.478 1.00 3.22 O ATOM 633 NE2 GLN A 84 -6.228 1.855 -5.369 1.00 3.10 N ATOM 0 H GLN A 84 -3.480 -2.494 -5.295 1.00 32.50 H new ATOM 0 HA GLN A 84 -1.955 -0.263 -5.978 1.00 20.45 H new ATOM 0 HB2 GLN A 84 -4.024 -0.689 -3.779 1.00 33.43 H new ATOM 0 HB3 GLN A 84 -3.355 0.884 -4.167 1.00 33.43 H new ATOM 0 HG2 GLN A 84 -4.251 0.762 -6.444 1.00 44.31 H new ATOM 0 HG3 GLN A 84 -4.795 -0.884 -6.183 1.00 44.31 H new ATOM 0 HE21 GLN A 84 -5.583 2.430 -5.911 1.00 3.10 H new ATOM 0 HE22 GLN A 84 -7.095 2.257 -5.014 1.00 3.10 H new ATOM 642 N ILE A 85 -1.565 -1.515 -2.914 1.00 4.03 N ATOM 643 CA ILE A 85 -0.772 -1.612 -1.712 1.00 24.52 C ATOM 644 C ILE A 85 0.688 -1.800 -2.115 1.00 2.13 C ATOM 645 O ILE A 85 1.504 -0.960 -1.772 1.00 23.10 O ATOM 646 CB ILE A 85 -1.344 -2.734 -0.836 1.00 43.23 C ATOM 647 CG1 ILE A 85 -2.748 -2.379 -0.307 1.00 54.12 C ATOM 648 CG2 ILE A 85 -0.390 -2.990 0.324 1.00 61.12 C ATOM 649 CD1 ILE A 85 -3.464 -3.603 0.266 1.00 62.32 C ATOM 0 H ILE A 85 -2.350 -2.167 -2.924 1.00 4.03 H new ATOM 0 HA ILE A 85 -0.811 -0.706 -1.107 1.00 24.52 H new ATOM 0 HB ILE A 85 -1.444 -3.635 -1.442 1.00 43.23 H new ATOM 0 HG12 ILE A 85 -2.663 -1.613 0.464 1.00 54.12 H new ATOM 0 HG13 ILE A 85 -3.344 -1.954 -1.114 1.00 54.12 H new ATOM 0 HG21 ILE A 85 -0.788 -3.786 0.953 1.00 61.12 H new ATOM 0 HG22 ILE A 85 0.584 -3.287 -0.065 1.00 61.12 H new ATOM 0 HG23 ILE A 85 -0.283 -2.080 0.915 1.00 61.12 H new ATOM 0 HD11 ILE A 85 -4.450 -3.311 0.628 1.00 62.32 H new ATOM 0 HD12 ILE A 85 -3.572 -4.359 -0.512 1.00 62.32 H new ATOM 0 HD13 ILE A 85 -2.881 -4.013 1.091 1.00 62.32 H new ATOM 661 N ARG A 86 1.039 -2.859 -2.853 1.00 40.13 N ATOM 662 CA ARG A 86 2.422 -3.083 -3.288 1.00 32.40 C ATOM 663 C ARG A 86 3.067 -1.795 -3.840 1.00 32.22 C ATOM 664 O ARG A 86 4.162 -1.434 -3.411 1.00 31.23 O ATOM 665 CB ARG A 86 2.446 -4.295 -4.243 1.00 63.45 C ATOM 666 CG ARG A 86 3.624 -4.329 -5.230 1.00 2.40 C ATOM 667 CD ARG A 86 3.217 -3.706 -6.580 1.00 75.11 C ATOM 668 NE ARG A 86 4.346 -3.007 -7.207 1.00 31.33 N ATOM 669 CZ ARG A 86 4.964 -3.322 -8.357 1.00 32.54 C ATOM 670 NH1 ARG A 86 4.477 -4.254 -9.167 1.00 44.31 N ATOM 671 NH2 ARG A 86 6.093 -2.717 -8.694 1.00 22.52 N ATOM 0 H ARG A 86 0.383 -3.576 -3.162 1.00 40.13 H new ATOM 0 HA ARG A 86 3.057 -3.335 -2.439 1.00 32.40 H new ATOM 0 HB2 ARG A 86 2.467 -5.207 -3.646 1.00 63.45 H new ATOM 0 HB3 ARG A 86 1.516 -4.307 -4.812 1.00 63.45 H new ATOM 0 HG2 ARG A 86 4.471 -3.785 -4.813 1.00 2.40 H new ATOM 0 HG3 ARG A 86 3.949 -5.358 -5.381 1.00 2.40 H new ATOM 0 HD2 ARG A 86 2.853 -4.487 -7.248 1.00 75.11 H new ATOM 0 HD3 ARG A 86 2.394 -3.008 -6.427 1.00 75.11 H new ATOM 0 HE ARG A 86 4.701 -2.189 -6.713 1.00 31.33 H new ATOM 0 HH11 ARG A 86 3.618 -4.746 -8.920 1.00 44.31 H new ATOM 0 HH12 ARG A 86 4.962 -4.478 -10.036 1.00 44.31 H new ATOM 0 HH21 ARG A 86 6.496 -2.010 -8.079 1.00 22.52 H new ATOM 0 HH22 ARG A 86 6.560 -2.959 -9.568 1.00 22.52 H new ATOM 685 N TYR A 87 2.406 -1.083 -4.749 1.00 53.30 N ATOM 686 CA TYR A 87 2.950 0.142 -5.334 1.00 22.32 C ATOM 687 C TYR A 87 3.136 1.264 -4.311 1.00 3.44 C ATOM 688 O TYR A 87 4.165 1.951 -4.294 1.00 22.21 O ATOM 689 CB TYR A 87 1.991 0.598 -6.433 1.00 11.31 C ATOM 690 CG TYR A 87 2.477 1.743 -7.298 1.00 41.21 C ATOM 691 CD1 TYR A 87 3.725 1.680 -7.954 1.00 33.42 C ATOM 692 CD2 TYR A 87 1.647 2.865 -7.479 1.00 31.22 C ATOM 693 CE1 TYR A 87 4.101 2.701 -8.846 1.00 75.05 C ATOM 694 CE2 TYR A 87 2.040 3.906 -8.334 1.00 13.55 C ATOM 695 CZ TYR A 87 3.249 3.812 -9.053 1.00 32.24 C ATOM 696 OH TYR A 87 3.583 4.794 -9.932 1.00 44.40 O ATOM 0 H TYR A 87 1.482 -1.336 -5.100 1.00 53.30 H new ATOM 0 HA TYR A 87 3.942 -0.077 -5.729 1.00 22.32 H new ATOM 0 HB2 TYR A 87 1.776 -0.254 -7.078 1.00 11.31 H new ATOM 0 HB3 TYR A 87 1.050 0.892 -5.969 1.00 11.31 H new ATOM 0 HD1 TYR A 87 4.390 0.849 -7.772 1.00 33.42 H new ATOM 0 HD2 TYR A 87 0.703 2.925 -6.957 1.00 31.22 H new ATOM 0 HE1 TYR A 87 5.041 2.637 -9.374 1.00 75.05 H new ATOM 0 HE2 TYR A 87 1.415 4.780 -8.441 1.00 13.55 H new ATOM 0 HH TYR A 87 2.879 5.475 -9.944 1.00 44.40 H new ATOM 706 N SER A 88 2.135 1.490 -3.468 1.00 71.45 N ATOM 707 CA SER A 88 2.209 2.550 -2.466 1.00 30.13 C ATOM 708 C SER A 88 3.303 2.220 -1.457 1.00 23.30 C ATOM 709 O SER A 88 4.085 3.082 -1.070 1.00 20.21 O ATOM 710 CB SER A 88 0.835 2.847 -1.872 1.00 43.21 C ATOM 711 OG SER A 88 0.169 1.705 -1.388 1.00 75.31 O ATOM 0 H SER A 88 1.266 0.957 -3.457 1.00 71.45 H new ATOM 0 HA SER A 88 2.503 3.493 -2.926 1.00 30.13 H new ATOM 0 HB2 SER A 88 0.948 3.563 -1.058 1.00 43.21 H new ATOM 0 HB3 SER A 88 0.216 3.323 -2.632 1.00 43.21 H new ATOM 0 HG SER A 88 -0.764 1.930 -1.189 1.00 75.31 H new ATOM 717 N LEU A 89 3.449 0.949 -1.097 1.00 24.55 N ATOM 718 CA LEU A 89 4.479 0.489 -0.181 1.00 31.22 C ATOM 719 C LEU A 89 5.847 0.770 -0.789 1.00 61.50 C ATOM 720 O LEU A 89 6.764 1.131 -0.056 1.00 72.31 O ATOM 721 CB LEU A 89 4.364 -1.021 0.045 1.00 2.22 C ATOM 722 CG LEU A 89 3.162 -1.473 0.866 1.00 50.01 C ATOM 723 CD1 LEU A 89 3.092 -2.991 0.782 1.00 52.14 C ATOM 724 CD2 LEU A 89 3.275 -1.058 2.317 1.00 24.30 C ATOM 0 H LEU A 89 2.845 0.202 -1.440 1.00 24.55 H new ATOM 0 HA LEU A 89 4.356 1.011 0.768 1.00 31.22 H new ATOM 0 HB2 LEU A 89 4.324 -1.514 -0.926 1.00 2.22 H new ATOM 0 HB3 LEU A 89 5.271 -1.366 0.541 1.00 2.22 H new ATOM 0 HG LEU A 89 2.264 -1.004 0.465 1.00 50.01 H new ATOM 0 HD11 LEU A 89 2.240 -3.349 1.361 1.00 52.14 H new ATOM 0 HD12 LEU A 89 2.976 -3.293 -0.259 1.00 52.14 H new ATOM 0 HD13 LEU A 89 4.010 -3.420 1.184 1.00 52.14 H new ATOM 0 HD21 LEU A 89 2.396 -1.401 2.863 1.00 24.30 H new ATOM 0 HD22 LEU A 89 4.170 -1.501 2.754 1.00 24.30 H new ATOM 0 HD23 LEU A 89 3.340 0.028 2.381 1.00 24.30 H new ATOM 736 N GLU A 90 6.007 0.605 -2.101 1.00 21.15 N ATOM 737 CA GLU A 90 7.285 0.859 -2.760 1.00 14.45 C ATOM 738 C GLU A 90 7.599 2.351 -2.735 1.00 24.23 C ATOM 739 O GLU A 90 8.752 2.749 -2.598 1.00 4.24 O ATOM 740 CB GLU A 90 7.231 0.359 -4.205 1.00 52.13 C ATOM 741 CG GLU A 90 7.361 -1.166 -4.258 1.00 71.14 C ATOM 742 CD GLU A 90 7.250 -1.717 -5.666 1.00 52.44 C ATOM 743 OE1 GLU A 90 6.330 -1.304 -6.406 1.00 53.15 O ATOM 744 OE2 GLU A 90 8.026 -2.652 -5.986 1.00 14.22 O ATOM 0 H GLU A 90 5.265 0.296 -2.729 1.00 21.15 H new ATOM 0 HA GLU A 90 8.072 0.325 -2.227 1.00 14.45 H new ATOM 0 HB2 GLU A 90 6.291 0.665 -4.665 1.00 52.13 H new ATOM 0 HB3 GLU A 90 8.033 0.817 -4.783 1.00 52.13 H new ATOM 0 HG2 GLU A 90 8.321 -1.459 -3.833 1.00 71.14 H new ATOM 0 HG3 GLU A 90 6.586 -1.614 -3.635 1.00 71.14 H new ATOM 751 N ASN A 91 6.575 3.190 -2.853 1.00 71.24 N ATOM 752 CA ASN A 91 6.749 4.634 -2.850 1.00 33.10 C ATOM 753 C ASN A 91 7.093 5.142 -1.455 1.00 3.23 C ATOM 754 O ASN A 91 8.115 5.805 -1.261 1.00 43.14 O ATOM 755 CB ASN A 91 5.491 5.317 -3.403 1.00 14.13 C ATOM 756 CG ASN A 91 5.556 5.345 -4.918 1.00 25.30 C ATOM 757 OD1 ASN A 91 6.148 6.254 -5.501 1.00 3.52 O ATOM 758 ND2 ASN A 91 5.059 4.316 -5.584 1.00 11.34 N ATOM 0 H ASN A 91 5.606 2.888 -2.953 1.00 71.24 H new ATOM 0 HA ASN A 91 7.587 4.886 -3.500 1.00 33.10 H new ATOM 0 HB2 ASN A 91 4.600 4.781 -3.076 1.00 14.13 H new ATOM 0 HB3 ASN A 91 5.414 6.332 -3.013 1.00 14.13 H new ATOM 0 HD21 ASN A 91 5.163 4.266 -6.597 1.00 11.34 H new ATOM 0 HD22 ASN A 91 4.572 3.572 -5.084 1.00 11.34 H new ATOM 765 N THR A 92 6.252 4.817 -0.483 1.00 44.20 N ATOM 766 CA THR A 92 6.385 5.228 0.902 1.00 34.22 C ATOM 767 C THR A 92 7.604 4.590 1.576 1.00 61.35 C ATOM 768 O THR A 92 8.352 5.263 2.287 1.00 43.12 O ATOM 769 CB THR A 92 5.087 4.835 1.624 1.00 51.12 C ATOM 770 OG1 THR A 92 4.921 3.431 1.561 1.00 44.34 O ATOM 771 CG2 THR A 92 3.834 5.482 1.026 1.00 65.31 C ATOM 0 H THR A 92 5.428 4.238 -0.647 1.00 44.20 H new ATOM 0 HA THR A 92 6.544 6.305 0.952 1.00 34.22 H new ATOM 0 HB THR A 92 5.190 5.191 2.649 1.00 51.12 H new ATOM 0 HG1 THR A 92 4.020 3.194 1.864 1.00 44.34 H new ATOM 0 HG21 THR A 92 2.956 5.160 1.586 1.00 65.31 H new ATOM 0 HG22 THR A 92 3.922 6.567 1.083 1.00 65.31 H new ATOM 0 HG23 THR A 92 3.731 5.180 -0.016 1.00 65.31 H new ATOM 779 N GLY A 93 7.851 3.308 1.313 1.00 21.54 N ATOM 780 CA GLY A 93 8.961 2.538 1.874 1.00 52.04 C ATOM 781 C GLY A 93 8.622 1.863 3.204 1.00 21.34 C ATOM 782 O GLY A 93 9.424 1.057 3.682 1.00 32.35 O ATOM 0 H GLY A 93 7.266 2.759 0.684 1.00 21.54 H new ATOM 0 HA2 GLY A 93 9.265 1.776 1.156 1.00 52.04 H new ATOM 0 HA3 GLY A 93 9.816 3.199 2.018 1.00 52.04 H new ATOM 786 N SER A 94 7.498 2.209 3.839 1.00 74.31 N ATOM 787 CA SER A 94 7.051 1.595 5.080 1.00 53.14 C ATOM 788 C SER A 94 5.520 1.500 5.077 1.00 61.05 C ATOM 789 O SER A 94 4.821 2.372 4.544 1.00 4.53 O ATOM 790 CB SER A 94 7.592 2.360 6.285 1.00 13.03 C ATOM 791 OG SER A 94 7.434 1.550 7.435 1.00 13.12 O ATOM 0 H SER A 94 6.869 2.934 3.495 1.00 74.31 H new ATOM 0 HA SER A 94 7.447 0.582 5.157 1.00 53.14 H new ATOM 0 HB2 SER A 94 8.643 2.607 6.137 1.00 13.03 H new ATOM 0 HB3 SER A 94 7.057 3.302 6.408 1.00 13.03 H new ATOM 0 HG SER A 94 7.778 2.025 8.220 1.00 13.12 H new ATOM 797 N VAL A 95 5.002 0.416 5.655 1.00 1.41 N ATOM 798 CA VAL A 95 3.578 0.135 5.789 1.00 32.11 C ATOM 799 C VAL A 95 2.926 1.251 6.587 1.00 74.24 C ATOM 800 O VAL A 95 1.869 1.729 6.187 1.00 72.31 O ATOM 801 CB VAL A 95 3.371 -1.205 6.518 1.00 22.30 C ATOM 802 CG1 VAL A 95 1.940 -1.411 7.016 1.00 72.34 C ATOM 803 CG2 VAL A 95 3.775 -2.355 5.611 1.00 64.34 C ATOM 0 H VAL A 95 5.587 -0.316 6.057 1.00 1.41 H new ATOM 0 HA VAL A 95 3.127 0.073 4.799 1.00 32.11 H new ATOM 0 HB VAL A 95 4.007 -1.180 7.403 1.00 22.30 H new ATOM 0 HG11 VAL A 95 1.865 -2.375 7.520 1.00 72.34 H new ATOM 0 HG12 VAL A 95 1.680 -0.615 7.714 1.00 72.34 H new ATOM 0 HG13 VAL A 95 1.254 -1.390 6.170 1.00 72.34 H new ATOM 0 HG21 VAL A 95 3.626 -3.300 6.133 1.00 64.34 H new ATOM 0 HG22 VAL A 95 3.164 -2.339 4.709 1.00 64.34 H new ATOM 0 HG23 VAL A 95 4.826 -2.252 5.339 1.00 64.34 H new ATOM 813 N GLU A 96 3.576 1.682 7.668 1.00 71.32 N ATOM 814 CA GLU A 96 3.106 2.727 8.557 1.00 53.42 C ATOM 815 C GLU A 96 2.618 3.945 7.764 1.00 5.22 C ATOM 816 O GLU A 96 1.510 4.438 7.974 1.00 72.14 O ATOM 817 CB GLU A 96 4.200 3.060 9.600 1.00 65.44 C ATOM 818 CG GLU A 96 5.364 3.936 9.101 1.00 71.23 C ATOM 819 CD GLU A 96 6.359 4.342 10.190 1.00 15.14 C ATOM 820 OE1 GLU A 96 6.782 3.508 11.027 1.00 64.25 O ATOM 821 OE2 GLU A 96 6.673 5.553 10.259 1.00 61.52 O ATOM 0 H GLU A 96 4.476 1.295 7.953 1.00 71.32 H new ATOM 0 HA GLU A 96 2.237 2.375 9.113 1.00 53.42 H new ATOM 0 HB2 GLU A 96 3.728 3.564 10.444 1.00 65.44 H new ATOM 0 HB3 GLU A 96 4.612 2.124 9.977 1.00 65.44 H new ATOM 0 HG2 GLU A 96 5.899 3.397 8.319 1.00 71.23 H new ATOM 0 HG3 GLU A 96 4.955 4.837 8.645 1.00 71.23 H new ATOM 828 N GLU A 97 3.408 4.400 6.794 1.00 2.44 N ATOM 829 CA GLU A 97 3.025 5.563 6.008 1.00 41.31 C ATOM 830 C GLU A 97 1.848 5.216 5.105 1.00 13.32 C ATOM 831 O GLU A 97 0.932 6.015 4.943 1.00 71.11 O ATOM 832 CB GLU A 97 4.230 6.082 5.225 1.00 14.45 C ATOM 833 CG GLU A 97 3.871 7.260 4.298 1.00 33.54 C ATOM 834 CD GLU A 97 3.175 8.434 5.012 1.00 43.13 C ATOM 835 OE1 GLU A 97 3.525 8.731 6.183 1.00 41.52 O ATOM 836 OE2 GLU A 97 2.285 9.060 4.400 1.00 73.01 O ATOM 0 H GLU A 97 4.304 3.986 6.538 1.00 2.44 H new ATOM 0 HA GLU A 97 2.699 6.366 6.668 1.00 41.31 H new ATOM 0 HB2 GLU A 97 5.005 6.397 5.924 1.00 14.45 H new ATOM 0 HB3 GLU A 97 4.649 5.271 4.630 1.00 14.45 H new ATOM 0 HG2 GLU A 97 4.782 7.626 3.824 1.00 33.54 H new ATOM 0 HG3 GLU A 97 3.221 6.897 3.502 1.00 33.54 H new ATOM 843 N THR A 98 1.860 4.026 4.510 1.00 11.12 N ATOM 844 CA THR A 98 0.793 3.562 3.638 1.00 54.34 C ATOM 845 C THR A 98 -0.545 3.539 4.398 1.00 64.32 C ATOM 846 O THR A 98 -1.595 3.876 3.853 1.00 23.42 O ATOM 847 CB THR A 98 1.188 2.208 3.042 1.00 54.54 C ATOM 848 OG1 THR A 98 2.438 2.336 2.401 1.00 3.53 O ATOM 849 CG2 THR A 98 0.202 1.769 1.967 1.00 64.51 C ATOM 0 H THR A 98 2.619 3.354 4.623 1.00 11.12 H new ATOM 0 HA THR A 98 0.648 4.249 2.804 1.00 54.34 H new ATOM 0 HB THR A 98 1.208 1.483 3.856 1.00 54.54 H new ATOM 0 HG1 THR A 98 2.431 1.823 1.566 1.00 3.53 H new ATOM 0 HG21 THR A 98 0.510 0.804 1.563 1.00 64.51 H new ATOM 0 HG22 THR A 98 -0.794 1.680 2.401 1.00 64.51 H new ATOM 0 HG23 THR A 98 0.184 2.508 1.166 1.00 64.51 H new ATOM 857 N VAL A 99 -0.514 3.175 5.670 1.00 65.21 N ATOM 858 CA VAL A 99 -1.687 3.118 6.526 1.00 25.43 C ATOM 859 C VAL A 99 -2.099 4.546 6.912 1.00 33.14 C ATOM 860 O VAL A 99 -3.297 4.821 6.954 1.00 71.35 O ATOM 861 CB VAL A 99 -1.400 2.193 7.731 1.00 44.00 C ATOM 862 CG1 VAL A 99 -2.541 2.169 8.754 1.00 72.34 C ATOM 863 CG2 VAL A 99 -1.191 0.745 7.249 1.00 61.13 C ATOM 0 H VAL A 99 0.347 2.905 6.146 1.00 65.21 H new ATOM 0 HA VAL A 99 -2.540 2.682 6.006 1.00 25.43 H new ATOM 0 HB VAL A 99 -0.507 2.595 8.209 1.00 44.00 H new ATOM 0 HG11 VAL A 99 -2.279 1.502 9.575 1.00 72.34 H new ATOM 0 HG12 VAL A 99 -2.704 3.175 9.141 1.00 72.34 H new ATOM 0 HG13 VAL A 99 -3.453 1.813 8.274 1.00 72.34 H new ATOM 0 HG21 VAL A 99 -0.990 0.102 8.106 1.00 61.13 H new ATOM 0 HG22 VAL A 99 -2.089 0.398 6.738 1.00 61.13 H new ATOM 0 HG23 VAL A 99 -0.346 0.709 6.561 1.00 61.13 H new ATOM 873 N GLU A 100 -1.151 5.462 7.142 1.00 25.52 N ATOM 874 CA GLU A 100 -1.419 6.852 7.527 1.00 61.54 C ATOM 875 C GLU A 100 -2.053 7.631 6.380 1.00 63.13 C ATOM 876 O GLU A 100 -2.970 8.420 6.599 1.00 54.05 O ATOM 877 CB GLU A 100 -0.145 7.534 8.047 1.00 5.44 C ATOM 878 CG GLU A 100 -0.028 7.321 9.563 1.00 2.31 C ATOM 879 CD GLU A 100 1.370 7.609 10.114 1.00 54.24 C ATOM 880 OE1 GLU A 100 1.940 8.693 9.832 1.00 32.22 O ATOM 881 OE2 GLU A 100 1.867 6.774 10.905 1.00 4.31 O ATOM 0 H GLU A 100 -0.156 5.253 7.064 1.00 25.52 H new ATOM 0 HA GLU A 100 -2.140 6.843 8.344 1.00 61.54 H new ATOM 0 HB2 GLU A 100 0.730 7.124 7.543 1.00 5.44 H new ATOM 0 HB3 GLU A 100 -0.173 8.600 7.821 1.00 5.44 H new ATOM 0 HG2 GLU A 100 -0.749 7.964 10.069 1.00 2.31 H new ATOM 0 HG3 GLU A 100 -0.298 6.292 9.799 1.00 2.31 H new ATOM 888 N ARG A 101 -1.603 7.410 5.147 1.00 70.40 N ATOM 889 CA ARG A 101 -2.180 8.086 3.993 1.00 44.51 C ATOM 890 C ARG A 101 -3.543 7.452 3.702 1.00 13.22 C ATOM 891 O ARG A 101 -4.489 8.154 3.357 1.00 23.13 O ATOM 892 CB ARG A 101 -1.198 8.038 2.823 1.00 51.13 C ATOM 893 CG ARG A 101 -0.929 6.600 2.376 1.00 43.04 C ATOM 894 CD ARG A 101 0.288 6.411 1.485 1.00 71.21 C ATOM 895 NE ARG A 101 0.353 7.476 0.498 1.00 71.33 N ATOM 896 CZ ARG A 101 -0.428 7.741 -0.558 1.00 1.42 C ATOM 897 NH1 ARG A 101 -1.338 6.875 -1.002 1.00 15.33 N ATOM 898 NH2 ARG A 101 -0.314 8.927 -1.137 1.00 23.10 N ATOM 0 H ARG A 101 -0.842 6.769 4.924 1.00 70.40 H new ATOM 0 HA ARG A 101 -2.353 9.145 4.183 1.00 44.51 H new ATOM 0 HB2 ARG A 101 -1.598 8.611 1.987 1.00 51.13 H new ATOM 0 HB3 ARG A 101 -0.260 8.511 3.114 1.00 51.13 H new ATOM 0 HG2 ARG A 101 -0.809 5.978 3.263 1.00 43.04 H new ATOM 0 HG3 ARG A 101 -1.807 6.232 1.846 1.00 43.04 H new ATOM 0 HD2 ARG A 101 1.195 6.409 2.090 1.00 71.21 H new ATOM 0 HD3 ARG A 101 0.236 5.444 0.985 1.00 71.21 H new ATOM 0 HE ARG A 101 1.123 8.132 0.632 1.00 71.33 H new ATOM 0 HH11 ARG A 101 -1.457 5.976 -0.535 1.00 15.33 H new ATOM 0 HH12 ARG A 101 -1.915 7.111 -1.809 1.00 15.33 H new ATOM 0 HH21 ARG A 101 0.354 9.608 -0.777 1.00 23.10 H new ATOM 0 HH22 ARG A 101 -0.895 9.159 -1.943 1.00 23.10 H new ATOM 912 N TYR A 102 -3.665 6.134 3.878 1.00 73.13 N ATOM 913 CA TYR A 102 -4.914 5.402 3.672 1.00 62.24 C ATOM 914 C TYR A 102 -6.009 5.974 4.575 1.00 31.43 C ATOM 915 O TYR A 102 -7.051 6.419 4.096 1.00 15.20 O ATOM 916 CB TYR A 102 -4.695 3.912 3.914 1.00 3.40 C ATOM 917 CG TYR A 102 -5.943 3.159 4.297 1.00 30.55 C ATOM 918 CD1 TYR A 102 -6.909 2.865 3.321 1.00 33.22 C ATOM 919 CD2 TYR A 102 -6.162 2.823 5.646 1.00 0.13 C ATOM 920 CE1 TYR A 102 -8.090 2.201 3.684 1.00 43.33 C ATOM 921 CE2 TYR A 102 -7.343 2.166 6.018 1.00 2.14 C ATOM 922 CZ TYR A 102 -8.308 1.845 5.036 1.00 12.22 C ATOM 923 OH TYR A 102 -9.449 1.207 5.403 1.00 53.21 O ATOM 0 H TYR A 102 -2.890 5.540 4.171 1.00 73.13 H new ATOM 0 HA TYR A 102 -5.242 5.521 2.639 1.00 62.24 H new ATOM 0 HB2 TYR A 102 -4.278 3.466 3.011 1.00 3.40 H new ATOM 0 HB3 TYR A 102 -3.953 3.789 4.703 1.00 3.40 H new ATOM 0 HD1 TYR A 102 -6.743 3.150 2.293 1.00 33.22 H new ATOM 0 HD2 TYR A 102 -5.422 3.071 6.393 1.00 0.13 H new ATOM 0 HE1 TYR A 102 -8.830 1.962 2.934 1.00 43.33 H new ATOM 0 HE2 TYR A 102 -7.515 1.906 7.052 1.00 2.14 H new ATOM 0 HH TYR A 102 -9.433 1.037 6.368 1.00 53.21 H new ATOM 933 N LEU A 103 -5.778 6.013 5.890 1.00 73.15 N ATOM 934 CA LEU A 103 -6.746 6.563 6.836 1.00 21.42 C ATOM 935 C LEU A 103 -7.046 8.038 6.559 1.00 33.14 C ATOM 936 O LEU A 103 -8.105 8.515 6.965 1.00 2.41 O ATOM 937 CB LEU A 103 -6.313 6.325 8.291 1.00 63.14 C ATOM 938 CG LEU A 103 -4.979 6.979 8.695 1.00 32.41 C ATOM 939 CD1 LEU A 103 -5.091 8.460 9.096 1.00 1.51 C ATOM 940 CD2 LEU A 103 -4.373 6.207 9.872 1.00 71.25 C ATOM 0 H LEU A 103 -4.922 5.667 6.324 1.00 73.15 H new ATOM 0 HA LEU A 103 -7.681 6.023 6.688 1.00 21.42 H new ATOM 0 HB2 LEU A 103 -7.096 6.697 8.951 1.00 63.14 H new ATOM 0 HB3 LEU A 103 -6.238 5.251 8.459 1.00 63.14 H new ATOM 0 HG LEU A 103 -4.349 6.939 7.807 1.00 32.41 H new ATOM 0 HD11 LEU A 103 -4.105 8.840 9.365 1.00 1.51 H new ATOM 0 HD12 LEU A 103 -5.485 9.035 8.258 1.00 1.51 H new ATOM 0 HD13 LEU A 103 -5.762 8.556 9.949 1.00 1.51 H new ATOM 0 HD21 LEU A 103 -3.428 6.667 10.161 1.00 71.25 H new ATOM 0 HD22 LEU A 103 -5.062 6.231 10.716 1.00 71.25 H new ATOM 0 HD23 LEU A 103 -4.197 5.173 9.577 1.00 71.25 H new ATOM 952 N ARG A 104 -6.149 8.763 5.879 1.00 15.31 N ATOM 953 CA ARG A 104 -6.355 10.171 5.544 1.00 61.30 C ATOM 954 C ARG A 104 -7.221 10.286 4.290 1.00 3.43 C ATOM 955 O ARG A 104 -7.781 11.356 4.049 1.00 61.42 O ATOM 956 CB ARG A 104 -5.012 10.922 5.462 1.00 4.22 C ATOM 957 CG ARG A 104 -4.466 11.229 4.057 1.00 4.44 C ATOM 958 CD ARG A 104 -4.852 12.630 3.582 1.00 64.15 C ATOM 959 NE ARG A 104 -3.651 13.456 3.413 1.00 2.33 N ATOM 960 CZ ARG A 104 -3.589 14.785 3.339 1.00 32.22 C ATOM 961 NH1 ARG A 104 -4.693 15.530 3.340 1.00 33.21 N ATOM 962 NH2 ARG A 104 -2.396 15.356 3.275 1.00 44.41 N ATOM 0 H ARG A 104 -5.261 8.387 5.547 1.00 15.31 H new ATOM 0 HA ARG A 104 -6.907 10.667 6.342 1.00 61.30 H new ATOM 0 HB2 ARG A 104 -5.119 11.866 5.997 1.00 4.22 H new ATOM 0 HB3 ARG A 104 -4.263 10.336 5.995 1.00 4.22 H new ATOM 0 HG2 ARG A 104 -3.380 11.135 4.062 1.00 4.44 H new ATOM 0 HG3 ARG A 104 -4.846 10.490 3.352 1.00 4.44 H new ATOM 0 HD2 ARG A 104 -5.394 12.566 2.638 1.00 64.15 H new ATOM 0 HD3 ARG A 104 -5.523 13.095 4.304 1.00 64.15 H new ATOM 0 HE ARG A 104 -2.764 12.957 3.344 1.00 2.33 H new ATOM 0 HH11 ARG A 104 -5.609 15.085 3.398 1.00 33.21 H new ATOM 0 HH12 ARG A 104 -4.623 16.546 3.283 1.00 33.21 H new ATOM 0 HH21 ARG A 104 -1.554 14.780 3.283 1.00 44.41 H new ATOM 0 HH22 ARG A 104 -2.319 16.371 3.218 1.00 44.41 H new ATOM 976 N GLY A 105 -7.374 9.214 3.507 1.00 3.53 N ATOM 977 CA GLY A 105 -8.179 9.211 2.300 1.00 15.03 C ATOM 978 C GLY A 105 -7.395 9.686 1.086 1.00 14.44 C ATOM 979 O GLY A 105 -7.930 10.459 0.286 1.00 61.10 O ATOM 0 H GLY A 105 -6.933 8.316 3.704 1.00 3.53 H new ATOM 0 HA2 GLY A 105 -8.553 8.204 2.117 1.00 15.03 H new ATOM 0 HA3 GLY A 105 -9.048 9.853 2.443 1.00 15.03 H new ATOM 983 N ASP A 106 -6.107 9.341 0.997 1.00 53.35 N ATOM 984 CA ASP A 106 -5.266 9.722 -0.137 1.00 24.52 C ATOM 985 C ASP A 106 -5.587 8.829 -1.348 1.00 55.40 C ATOM 986 O ASP A 106 -6.400 7.901 -1.278 1.00 30.03 O ATOM 987 CB ASP A 106 -3.774 9.631 0.223 1.00 21.12 C ATOM 988 CG ASP A 106 -2.939 10.583 -0.640 1.00 0.30 C ATOM 989 OD1 ASP A 106 -2.634 10.290 -1.819 1.00 31.24 O ATOM 990 OD2 ASP A 106 -2.601 11.679 -0.141 1.00 4.42 O ATOM 0 H ASP A 106 -5.622 8.792 1.707 1.00 53.35 H new ATOM 0 HA ASP A 106 -5.481 10.759 -0.393 1.00 24.52 H new ATOM 0 HB2 ASP A 106 -3.635 9.874 1.276 1.00 21.12 H new ATOM 0 HB3 ASP A 106 -3.425 8.608 0.083 1.00 21.12 H new ATOM 995 N GLU A 107 -5.000 9.142 -2.495 1.00 75.14 N ATOM 996 CA GLU A 107 -5.164 8.406 -3.730 1.00 73.23 C ATOM 997 C GLU A 107 -4.231 7.212 -3.676 1.00 5.03 C ATOM 998 O GLU A 107 -3.056 7.321 -3.304 1.00 60.45 O ATOM 999 CB GLU A 107 -4.791 9.270 -4.942 1.00 34.14 C ATOM 1000 CG GLU A 107 -5.616 10.555 -5.054 1.00 21.25 C ATOM 1001 CD GLU A 107 -5.276 11.314 -6.339 1.00 71.11 C ATOM 1002 OE1 GLU A 107 -4.134 11.821 -6.444 1.00 44.43 O ATOM 1003 OE2 GLU A 107 -6.149 11.435 -7.238 1.00 3.24 O ATOM 0 H GLU A 107 -4.376 9.944 -2.589 1.00 75.14 H new ATOM 0 HA GLU A 107 -6.205 8.101 -3.836 1.00 73.23 H new ATOM 0 HB2 GLU A 107 -3.734 9.530 -4.881 1.00 34.14 H new ATOM 0 HB3 GLU A 107 -4.923 8.683 -5.851 1.00 34.14 H new ATOM 0 HG2 GLU A 107 -6.678 10.312 -5.041 1.00 21.25 H new ATOM 0 HG3 GLU A 107 -5.424 11.191 -4.190 1.00 21.25 H new ATOM 1010 N PHE A 108 -4.759 6.071 -4.080 1.00 42.11 N ATOM 1011 CA PHE A 108 -4.059 4.812 -4.148 1.00 42.02 C ATOM 1012 C PHE A 108 -4.102 4.444 -5.615 1.00 0.53 C ATOM 1013 O PHE A 108 -5.165 4.209 -6.193 1.00 75.41 O ATOM 1014 CB PHE A 108 -4.667 3.774 -3.203 1.00 45.34 C ATOM 1015 CG PHE A 108 -4.070 3.881 -1.820 1.00 50.04 C ATOM 1016 CD1 PHE A 108 -4.407 4.965 -0.994 1.00 73.23 C ATOM 1017 CD2 PHE A 108 -3.123 2.936 -1.385 1.00 12.44 C ATOM 1018 CE1 PHE A 108 -3.798 5.113 0.257 1.00 1.54 C ATOM 1019 CE2 PHE A 108 -2.544 3.065 -0.112 1.00 35.25 C ATOM 1020 CZ PHE A 108 -2.874 4.158 0.704 1.00 33.44 C ATOM 0 H PHE A 108 -5.731 5.999 -4.382 1.00 42.11 H new ATOM 0 HA PHE A 108 -3.027 4.867 -3.803 1.00 42.02 H new ATOM 0 HB2 PHE A 108 -5.746 3.916 -3.148 1.00 45.34 H new ATOM 0 HB3 PHE A 108 -4.497 2.773 -3.599 1.00 45.34 H new ATOM 0 HD1 PHE A 108 -5.139 5.687 -1.325 1.00 73.23 H new ATOM 0 HD2 PHE A 108 -2.842 2.115 -2.027 1.00 12.44 H new ATOM 0 HE1 PHE A 108 -4.040 5.963 0.878 1.00 1.54 H new ATOM 0 HE2 PHE A 108 -1.844 2.322 0.240 1.00 35.25 H new ATOM 0 HZ PHE A 108 -2.416 4.264 1.676 1.00 33.44 H new ATOM 1030 N SER A 109 -2.943 4.493 -6.235 1.00 64.14 N ATOM 1031 CA SER A 109 -2.735 4.187 -7.634 1.00 45.24 C ATOM 1032 C SER A 109 -2.232 2.746 -7.789 1.00 43.55 C ATOM 1033 O SER A 109 -2.049 2.039 -6.797 1.00 5.53 O ATOM 1034 CB SER A 109 -1.773 5.220 -8.229 1.00 54.15 C ATOM 1035 OG SER A 109 -2.108 6.552 -7.860 1.00 3.12 O ATOM 0 H SER A 109 -2.082 4.759 -5.757 1.00 64.14 H new ATOM 0 HA SER A 109 -3.673 4.249 -8.185 1.00 45.24 H new ATOM 0 HB2 SER A 109 -0.758 4.999 -7.899 1.00 54.15 H new ATOM 0 HB3 SER A 109 -1.780 5.135 -9.316 1.00 54.15 H new ATOM 0 HG SER A 109 -1.466 7.174 -8.261 1.00 3.12 H new ATOM 1041 N PHE A 110 -2.020 2.303 -9.027 1.00 74.20 N ATOM 1042 CA PHE A 110 -1.565 0.965 -9.377 1.00 55.22 C ATOM 1043 C PHE A 110 -0.135 0.991 -9.936 1.00 1.42 C ATOM 1044 O PHE A 110 0.319 2.037 -10.417 1.00 2.44 O ATOM 1045 CB PHE A 110 -2.572 0.365 -10.371 1.00 21.51 C ATOM 1046 CG PHE A 110 -3.853 -0.117 -9.717 1.00 64.22 C ATOM 1047 CD1 PHE A 110 -4.859 0.800 -9.349 1.00 10.11 C ATOM 1048 CD2 PHE A 110 -4.038 -1.491 -9.465 1.00 12.14 C ATOM 1049 CE1 PHE A 110 -6.038 0.345 -8.736 1.00 15.50 C ATOM 1050 CE2 PHE A 110 -5.226 -1.941 -8.869 1.00 42.13 C ATOM 1051 CZ PHE A 110 -6.220 -1.025 -8.488 1.00 0.11 C ATOM 0 H PHE A 110 -2.168 2.894 -9.845 1.00 74.20 H new ATOM 0 HA PHE A 110 -1.523 0.336 -8.488 1.00 55.22 H new ATOM 0 HB2 PHE A 110 -2.817 1.114 -11.124 1.00 21.51 H new ATOM 0 HB3 PHE A 110 -2.103 -0.470 -10.892 1.00 21.51 H new ATOM 0 HD1 PHE A 110 -4.723 1.854 -9.539 1.00 10.11 H new ATOM 0 HD2 PHE A 110 -3.266 -2.198 -9.731 1.00 12.14 H new ATOM 0 HE1 PHE A 110 -6.806 1.050 -8.455 1.00 15.50 H new ATOM 0 HE2 PHE A 110 -5.377 -2.997 -8.702 1.00 42.13 H new ATOM 0 HZ PHE A 110 -7.121 -1.373 -8.006 1.00 0.11 H new ATOM 1061 N PRO A 111 0.575 -0.152 -9.895 1.00 54.41 N ATOM 1062 CA PRO A 111 1.947 -0.262 -10.379 1.00 14.52 C ATOM 1063 C PRO A 111 2.072 -0.223 -11.910 1.00 4.43 C ATOM 1064 O PRO A 111 1.083 -0.438 -12.618 1.00 43.11 O ATOM 1065 CB PRO A 111 2.457 -1.589 -9.815 1.00 74.13 C ATOM 1066 CG PRO A 111 1.201 -2.441 -9.667 1.00 63.30 C ATOM 1067 CD PRO A 111 0.121 -1.423 -9.338 1.00 3.51 C ATOM 0 HA PRO A 111 2.534 0.595 -10.048 1.00 14.52 H new ATOM 0 HB2 PRO A 111 3.178 -2.056 -10.486 1.00 74.13 H new ATOM 0 HB3 PRO A 111 2.958 -1.448 -8.857 1.00 74.13 H new ATOM 0 HG2 PRO A 111 0.974 -2.985 -10.584 1.00 63.30 H new ATOM 0 HG3 PRO A 111 1.309 -3.182 -8.875 1.00 63.30 H new ATOM 0 HD2 PRO A 111 -0.836 -1.717 -9.770 1.00 3.51 H new ATOM 0 HD3 PRO A 111 -0.026 -1.346 -8.261 1.00 3.51 H new ATOM 1075 N PRO A 112 3.295 0.012 -12.429 1.00 62.23 N ATOM 1076 CA PRO A 112 3.550 0.072 -13.863 1.00 10.24 C ATOM 1077 C PRO A 112 3.201 -1.270 -14.505 1.00 54.40 C ATOM 1078 O PRO A 112 3.496 -2.339 -13.958 1.00 72.15 O ATOM 1079 CB PRO A 112 5.030 0.442 -14.015 1.00 32.04 C ATOM 1080 CG PRO A 112 5.654 0.018 -12.688 1.00 54.52 C ATOM 1081 CD PRO A 112 4.527 0.267 -11.692 1.00 25.01 C ATOM 0 HA PRO A 112 2.935 0.814 -14.371 1.00 10.24 H new ATOM 0 HB2 PRO A 112 5.488 -0.079 -14.856 1.00 32.04 H new ATOM 0 HB3 PRO A 112 5.158 1.510 -14.194 1.00 32.04 H new ATOM 0 HG2 PRO A 112 5.959 -1.028 -12.700 1.00 54.52 H new ATOM 0 HG3 PRO A 112 6.541 0.606 -12.451 1.00 54.52 H new ATOM 0 HD2 PRO A 112 4.612 -0.393 -10.829 1.00 25.01 H new ATOM 0 HD3 PRO A 112 4.555 1.289 -11.315 1.00 25.01 H new ATOM 1089 N GLY A 113 2.585 -1.224 -15.682 1.00 33.50 N ATOM 1090 CA GLY A 113 2.156 -2.392 -16.433 1.00 65.54 C ATOM 1091 C GLY A 113 0.698 -2.735 -16.131 1.00 21.03 C ATOM 1092 O GLY A 113 0.087 -3.461 -16.914 1.00 32.43 O ATOM 0 H GLY A 113 2.365 -0.345 -16.151 1.00 33.50 H new ATOM 0 HA2 GLY A 113 2.276 -2.206 -17.500 1.00 65.54 H new ATOM 0 HA3 GLY A 113 2.792 -3.242 -16.184 1.00 65.54 H new ATOM 1096 N PHE A 114 0.124 -2.240 -15.024 1.00 30.31 N ATOM 1097 CA PHE A 114 -1.266 -2.536 -14.719 1.00 14.23 C ATOM 1098 C PHE A 114 -2.174 -1.777 -15.692 1.00 13.25 C ATOM 1099 O PHE A 114 -3.163 -2.346 -16.162 1.00 30.10 O ATOM 1100 CB PHE A 114 -1.620 -2.191 -13.261 1.00 63.52 C ATOM 1101 CG PHE A 114 -2.998 -2.692 -12.853 1.00 11.33 C ATOM 1102 CD1 PHE A 114 -4.179 -2.046 -13.276 1.00 3.54 C ATOM 1103 CD2 PHE A 114 -3.099 -3.866 -12.090 1.00 0.02 C ATOM 1104 CE1 PHE A 114 -5.436 -2.601 -12.971 1.00 31.35 C ATOM 1105 CE2 PHE A 114 -4.354 -4.385 -11.732 1.00 43.41 C ATOM 1106 CZ PHE A 114 -5.527 -3.761 -12.183 1.00 42.33 C ATOM 0 H PHE A 114 0.597 -1.646 -14.343 1.00 30.31 H new ATOM 0 HA PHE A 114 -1.421 -3.608 -14.838 1.00 14.23 H new ATOM 0 HB2 PHE A 114 -0.871 -2.623 -12.598 1.00 63.52 H new ATOM 0 HB3 PHE A 114 -1.578 -1.110 -13.128 1.00 63.52 H new ATOM 0 HD1 PHE A 114 -4.118 -1.124 -13.835 1.00 3.54 H new ATOM 0 HD2 PHE A 114 -2.201 -4.376 -11.775 1.00 0.02 H new ATOM 0 HE1 PHE A 114 -6.335 -2.133 -13.344 1.00 31.35 H new ATOM 0 HE2 PHE A 114 -4.416 -5.265 -11.109 1.00 43.41 H new ATOM 0 HZ PHE A 114 -6.493 -4.169 -11.926 1.00 42.33 H new ATOM 1116 N GLU A 115 -1.893 -0.488 -15.928 1.00 35.33 N ATOM 1117 CA GLU A 115 -2.681 0.365 -16.812 1.00 73.30 C ATOM 1118 C GLU A 115 -2.322 0.136 -18.269 1.00 35.10 C ATOM 1119 O GLU A 115 -3.255 -0.001 -19.089 1.00 12.13 O ATOM 1120 CB GLU A 115 -2.590 1.847 -16.391 1.00 72.40 C ATOM 1121 CG GLU A 115 -1.213 2.544 -16.488 1.00 50.14 C ATOM 1122 CD GLU A 115 -0.943 3.350 -17.769 1.00 33.24 C ATOM 1123 OE1 GLU A 115 -1.831 3.515 -18.633 1.00 31.05 O ATOM 1124 OE2 GLU A 115 0.184 3.873 -17.942 1.00 44.44 O ATOM 0 H GLU A 115 -1.101 -0.007 -15.502 1.00 35.33 H new ATOM 0 HA GLU A 115 -3.729 0.083 -16.710 1.00 73.30 H new ATOM 0 HB2 GLU A 115 -3.294 2.412 -17.002 1.00 72.40 H new ATOM 0 HB3 GLU A 115 -2.931 1.923 -15.359 1.00 72.40 H new ATOM 0 HG2 GLU A 115 -1.108 3.214 -15.635 1.00 50.14 H new ATOM 0 HG3 GLU A 115 -0.438 1.784 -16.393 1.00 50.14 H new TER 1131 GLU A 115