USER MOD reduce.3.24.130724 H: found=0, std=0, add=1443, rem=0, adj=48 USER MOD reduce.3.24.130724 removed 1445 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 85 LYS NZ :NH3+ -160:sc= 0.613 (180deg=0) USER MOD Set 1.2: B 74 ASN : amide:sc= -0.0206 K(o=0.59,f=-11!) USER MOD Set 2.1: B 55 SER OG : rot -91:sc= 2.02 USER MOD Set 2.2: B 85 LYS NZ :NH3+ 144:sc= 0.538! (180deg=-1.08!) USER MOD Set 3.1: A 48 HIS : no HE2:sc= 0.816 K(o=0.82,f=-4.8!) USER MOD Set 3.2: A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 36 ASN : amide:sc= 1.34 K(o=2.5,f=-8.4!) USER MOD Set 4.2: A 39 LYS NZ :NH3+ 169:sc= 0.915 (180deg=0.484) USER MOD Set 4.3: A 67 GLN : amide:sc= 0.217 K(o=2.5,f=-8.4) USER MOD Single : A 7 THR OG1 : rot 92:sc= 0.848 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 18:sc= 1.3 USER MOD Single : A 18 THR OG1 : rot 158:sc= 1.24 USER MOD Single : A 19 THR OG1 : rot -68:sc= 1.23 USER MOD Single : A 22 THR OG1 : rot -126:sc= 1.25 USER MOD Single : A 32 SER OG : rot -102:sc= 0.304 USER MOD Single : A 34 SER OG : rot 86:sc= 1.29 USER MOD Single : A 43 THR OG1 : rot 180:sc=-0.000102 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 GLN : amide:sc= -0.31 K(o=-0.31,f=-1.2) USER MOD Single : A 51 LYS NZ :NH3+ -172:sc= -0.165 (180deg=-0.259) USER MOD Single : A 55 SER OG : rot -34:sc= 0.0618 USER MOD Single : A 59 LYS NZ :NH3+ 145:sc= 0.971 (180deg=-2.51!) USER MOD Single : A 60 MET CE :methyl -171:sc= -0.0151 (180deg=-0.164) USER MOD Single : A 61 LYS NZ :NH3+ -176:sc= 2.38 (180deg=2.29) USER MOD Single : A 62 SER OG : rot 92:sc= 1.18 USER MOD Single : A 66 ASN : amide:sc= -0.233 X(o=-0.23,f=-0.016) USER MOD Single : A 69 SER OG : rot 180:sc= -0.212 USER MOD Single : A 72 LYS NZ :NH3+ -173:sc= 1.24 (180deg=0.671) USER MOD Single : A 74 ASN : amide:sc= 0.996 K(o=1,f=-4.2!) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 170:sc= 0.962 (180deg=0.264) USER MOD Single : A 91 LYS NZ :NH3+ -148:sc= 0.927 (180deg=-2.04!) USER MOD Single : A 94 LYS NZ :NH3+ -166:sc= 1.05 (180deg=0.585) USER MOD Single : B 7 THR OG1 : rot 180:sc= -0.0102 USER MOD Single : B 12 SER OG : rot 70:sc= 1.19 USER MOD Single : B 15 THR OG1 : rot 77:sc= 1.27 USER MOD Single : B 18 THR OG1 : rot 180:sc= 0 USER MOD Single : B 19 THR OG1 : rot 63:sc= 1.21 USER MOD Single : B 22 THR OG1 : rot 180:sc= 0 USER MOD Single : B 30 LYS NZ :NH3+ 176:sc= 0.997 (180deg=0.824) USER MOD Single : B 32 SER OG : rot -97:sc= 1.33 USER MOD Single : B 34 SER OG : rot 180:sc= 0 USER MOD Single : B 36 ASN : amide:sc= -1.33 K(o=-1.3,f=-6!) USER MOD Single : B 39 LYS NZ :NH3+ 147:sc= 1.06 (180deg=0.258) USER MOD Single : B 43 THR OG1 : rot 180:sc= -0.128 USER MOD Single : B 44 GLN : amide:sc= -0.0755 X(o=-0.075,f=0) USER MOD Single : B 45 GLN :FLIP amide:sc= -0.259 F(o=-1.3,f=-0.26) USER MOD Single : B 48 HIS :FLIP no HD1:sc= -1.11 F(o=-1.8,f=-1.1) USER MOD Single : B 51 LYS NZ :NH3+ -172:sc= -0.0237 (180deg=-0.162) USER MOD Single : B 59 LYS NZ :NH3+ -170:sc= 2.4 (180deg=2.23) USER MOD Single : B 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 61 LYS NZ :NH3+ -177:sc= 1.02 (180deg=1.02) USER MOD Single : B 62 SER OG : rot 180:sc= 0 USER MOD Single : B 66 ASN :FLIP amide:sc= -0.488 F(o=-1,f=-0.49) USER MOD Single : B 67 GLN : amide:sc= -0.845! C(o=-0.84!,f=-2.4!) USER MOD Single : B 69 SER OG : rot 86:sc= 0.66 USER MOD Single : B 72 LYS NZ :NH3+ -170:sc= 1.54 (180deg=1.29) USER MOD Single : B 76 TYR OH : rot 180:sc= 0 USER MOD Single : B 89 LYS NZ :NH3+ 157:sc= -1.27! (180deg=-3.81!) USER MOD Single : B 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 40 N GLU A 4 -14.873 -12.766 8.355 1.00 1.41 N ATOM 41 CA GLU A 4 -15.745 -11.685 7.912 1.00 1.51 C ATOM 42 C GLU A 4 -15.754 -11.761 6.384 1.00 1.59 C ATOM 43 O GLU A 4 -14.908 -12.469 5.833 1.00 1.61 O ATOM 44 CB GLU A 4 -15.219 -10.347 8.455 1.00 1.65 C ATOM 45 CG GLU A 4 -13.926 -9.835 7.795 1.00 2.04 C ATOM 46 CD GLU A 4 -14.148 -8.554 6.992 1.00 3.89 C ATOM 47 OE1 GLU A 4 -15.166 -8.503 6.269 1.00 5.14 O ATOM 48 OE2 GLU A 4 -13.296 -7.650 7.118 1.00 4.63 O ATOM 0 HA GLU A 4 -16.766 -11.772 8.285 1.00 1.51 H new ATOM 0 HB2 GLU A 4 -15.995 -9.592 8.330 1.00 1.65 H new ATOM 0 HB3 GLU A 4 -15.045 -10.451 9.526 1.00 1.65 H new ATOM 0 HG2 GLU A 4 -13.176 -9.652 8.565 1.00 2.04 H new ATOM 0 HG3 GLU A 4 -13.526 -10.608 7.138 1.00 2.04 H new ATOM 55 N PRO A 5 -16.671 -11.095 5.672 1.00 1.72 N ATOM 56 CA PRO A 5 -16.707 -11.177 4.223 1.00 1.84 C ATOM 57 C PRO A 5 -15.606 -10.311 3.585 1.00 1.73 C ATOM 58 O PRO A 5 -15.899 -9.481 2.726 1.00 1.80 O ATOM 59 CB PRO A 5 -18.135 -10.753 3.854 1.00 2.07 C ATOM 60 CG PRO A 5 -18.496 -9.746 4.946 1.00 2.09 C ATOM 61 CD PRO A 5 -17.745 -10.252 6.180 1.00 1.83 C ATOM 0 HA PRO A 5 -16.495 -12.175 3.840 1.00 1.84 H new ATOM 0 HB2 PRO A 5 -18.177 -10.303 2.862 1.00 2.07 H new ATOM 0 HB3 PRO A 5 -18.818 -11.602 3.848 1.00 2.07 H new ATOM 0 HG2 PRO A 5 -18.186 -8.736 4.676 1.00 2.09 H new ATOM 0 HG3 PRO A 5 -19.572 -9.713 5.119 1.00 2.09 H new ATOM 0 HD2 PRO A 5 -17.348 -9.422 6.764 1.00 1.83 H new ATOM 0 HD3 PRO A 5 -18.407 -10.816 6.837 1.00 1.83 H new ATOM 69 N LEU A 6 -14.336 -10.543 3.939 1.00 1.60 N ATOM 70 CA LEU A 6 -13.220 -9.808 3.346 1.00 1.48 C ATOM 71 C LEU A 6 -12.838 -10.393 1.982 1.00 1.45 C ATOM 72 O LEU A 6 -13.356 -11.432 1.571 1.00 1.87 O ATOM 73 CB LEU A 6 -12.009 -9.771 4.297 1.00 1.40 C ATOM 74 CG LEU A 6 -11.069 -10.994 4.273 1.00 1.34 C ATOM 75 CD1 LEU A 6 -9.833 -10.678 5.122 1.00 2.05 C ATOM 76 CD2 LEU A 6 -11.755 -12.260 4.793 1.00 2.57 C ATOM 0 H LEU A 6 -14.059 -11.236 4.635 1.00 1.60 H new ATOM 0 HA LEU A 6 -13.545 -8.780 3.187 1.00 1.48 H new ATOM 0 HB2 LEU A 6 -11.420 -8.885 4.062 1.00 1.40 H new ATOM 0 HB3 LEU A 6 -12.380 -9.647 5.315 1.00 1.40 H new ATOM 0 HG LEU A 6 -10.784 -11.190 3.239 1.00 1.34 H new ATOM 0 HD11 LEU A 6 -9.158 -11.534 5.115 1.00 2.05 H new ATOM 0 HD12 LEU A 6 -9.321 -9.809 4.710 1.00 2.05 H new ATOM 0 HD13 LEU A 6 -10.140 -10.466 6.146 1.00 2.05 H new ATOM 0 HD21 LEU A 6 -11.054 -13.094 4.757 1.00 2.57 H new ATOM 0 HD22 LEU A 6 -12.079 -12.102 5.822 1.00 2.57 H new ATOM 0 HD23 LEU A 6 -12.621 -12.486 4.171 1.00 2.57 H new ATOM 88 N THR A 7 -11.909 -9.725 1.290 1.00 1.05 N ATOM 89 CA THR A 7 -11.445 -10.091 -0.043 1.00 1.00 C ATOM 90 C THR A 7 -9.938 -9.827 -0.119 1.00 0.95 C ATOM 91 O THR A 7 -9.432 -9.063 0.702 1.00 0.96 O ATOM 92 CB THR A 7 -12.190 -9.235 -1.083 1.00 0.97 C ATOM 93 OG1 THR A 7 -13.488 -8.871 -0.652 1.00 1.52 O ATOM 94 CG2 THR A 7 -12.302 -9.961 -2.429 1.00 1.38 C ATOM 0 H THR A 7 -11.449 -8.892 1.657 1.00 1.05 H new ATOM 0 HA THR A 7 -11.640 -11.144 -0.246 1.00 1.00 H new ATOM 0 HB THR A 7 -11.596 -8.329 -1.203 1.00 0.97 H new ATOM 0 HG1 THR A 7 -13.450 -8.005 -0.194 1.00 1.52 H new ATOM 0 HG21 THR A 7 -12.833 -9.329 -3.140 1.00 1.38 H new ATOM 0 HG22 THR A 7 -11.304 -10.177 -2.810 1.00 1.38 H new ATOM 0 HG23 THR A 7 -12.849 -10.894 -2.295 1.00 1.38 H new ATOM 102 N GLU A 8 -9.241 -10.399 -1.108 1.00 1.02 N ATOM 103 CA GLU A 8 -7.801 -10.273 -1.341 1.00 1.04 C ATOM 104 C GLU A 8 -7.291 -8.852 -1.091 1.00 0.97 C ATOM 105 O GLU A 8 -6.317 -8.650 -0.366 1.00 1.04 O ATOM 106 CB GLU A 8 -7.435 -10.704 -2.777 1.00 1.14 C ATOM 107 CG GLU A 8 -7.865 -12.139 -3.122 1.00 1.35 C ATOM 108 CD GLU A 8 -9.289 -12.209 -3.654 1.00 2.24 C ATOM 109 OE1 GLU A 8 -10.202 -12.259 -2.800 1.00 3.36 O ATOM 110 OE2 GLU A 8 -9.445 -12.154 -4.891 1.00 2.64 O ATOM 0 H GLU A 8 -9.692 -10.993 -1.803 1.00 1.02 H new ATOM 0 HA GLU A 8 -7.315 -10.936 -0.625 1.00 1.04 H new ATOM 0 HB2 GLU A 8 -7.900 -10.016 -3.483 1.00 1.14 H new ATOM 0 HB3 GLU A 8 -6.357 -10.616 -2.909 1.00 1.14 H new ATOM 0 HG2 GLU A 8 -7.182 -12.551 -3.865 1.00 1.35 H new ATOM 0 HG3 GLU A 8 -7.782 -12.763 -2.233 1.00 1.35 H new ATOM 117 N LEU A 9 -7.957 -7.862 -1.698 1.00 0.87 N ATOM 118 CA LEU A 9 -7.609 -6.460 -1.517 1.00 0.86 C ATOM 119 C LEU A 9 -7.545 -6.149 -0.022 1.00 0.87 C ATOM 120 O LEU A 9 -6.496 -5.751 0.483 1.00 0.94 O ATOM 121 CB LEU A 9 -8.629 -5.547 -2.218 1.00 0.92 C ATOM 122 CG LEU A 9 -8.365 -5.340 -3.718 1.00 0.81 C ATOM 123 CD1 LEU A 9 -8.453 -6.628 -4.551 1.00 2.30 C ATOM 124 CD2 LEU A 9 -9.239 -4.218 -4.288 1.00 2.19 C ATOM 0 H LEU A 9 -8.747 -8.016 -2.324 1.00 0.87 H new ATOM 0 HA LEU A 9 -6.635 -6.272 -1.968 1.00 0.86 H new ATOM 0 HB2 LEU A 9 -9.625 -5.970 -2.091 1.00 0.92 H new ATOM 0 HB3 LEU A 9 -8.630 -4.576 -1.724 1.00 0.92 H new ATOM 0 HG LEU A 9 -7.324 -5.027 -3.798 1.00 0.81 H new ATOM 0 HD11 LEU A 9 -8.255 -6.398 -5.598 1.00 2.30 H new ATOM 0 HD12 LEU A 9 -7.716 -7.345 -4.191 1.00 2.30 H new ATOM 0 HD13 LEU A 9 -9.451 -7.055 -4.456 1.00 2.30 H new ATOM 0 HD21 LEU A 9 -9.028 -4.097 -5.351 1.00 2.19 H new ATOM 0 HD22 LEU A 9 -10.290 -4.472 -4.153 1.00 2.19 H new ATOM 0 HD23 LEU A 9 -9.021 -3.286 -3.766 1.00 2.19 H new ATOM 136 N GLU A 10 -8.658 -6.362 0.686 1.00 0.83 N ATOM 137 CA GLU A 10 -8.735 -6.071 2.108 1.00 0.82 C ATOM 138 C GLU A 10 -7.642 -6.845 2.841 1.00 0.82 C ATOM 139 O GLU A 10 -6.913 -6.286 3.651 1.00 0.82 O ATOM 140 CB GLU A 10 -10.112 -6.436 2.684 1.00 0.96 C ATOM 141 CG GLU A 10 -10.595 -5.570 3.866 1.00 1.51 C ATOM 142 CD GLU A 10 -9.521 -4.910 4.733 1.00 2.33 C ATOM 143 OE1 GLU A 10 -8.836 -3.983 4.248 1.00 3.44 O ATOM 144 OE2 GLU A 10 -9.393 -5.236 5.935 1.00 3.16 O ATOM 0 H GLU A 10 -9.519 -6.737 0.289 1.00 0.83 H new ATOM 0 HA GLU A 10 -8.591 -5.000 2.248 1.00 0.82 H new ATOM 0 HB2 GLU A 10 -10.849 -6.369 1.884 1.00 0.96 H new ATOM 0 HB3 GLU A 10 -10.086 -7.477 3.007 1.00 0.96 H new ATOM 0 HG2 GLU A 10 -11.238 -4.785 3.469 1.00 1.51 H new ATOM 0 HG3 GLU A 10 -11.214 -6.194 4.511 1.00 1.51 H new ATOM 151 N GLU A 11 -7.510 -8.136 2.538 1.00 0.89 N ATOM 152 CA GLU A 11 -6.544 -8.992 3.199 1.00 1.03 C ATOM 153 C GLU A 11 -5.124 -8.420 3.070 1.00 0.99 C ATOM 154 O GLU A 11 -4.355 -8.409 4.032 1.00 1.00 O ATOM 155 CB GLU A 11 -6.680 -10.431 2.689 1.00 1.22 C ATOM 156 CG GLU A 11 -5.890 -11.400 3.579 1.00 1.36 C ATOM 157 CD GLU A 11 -6.512 -12.786 3.587 1.00 2.81 C ATOM 158 OE1 GLU A 11 -6.415 -13.476 2.553 1.00 3.27 O ATOM 159 OE2 GLU A 11 -7.066 -13.133 4.655 1.00 4.08 O ATOM 0 H GLU A 11 -8.070 -8.610 1.830 1.00 0.89 H new ATOM 0 HA GLU A 11 -6.752 -9.021 4.269 1.00 1.03 H new ATOM 0 HB2 GLU A 11 -7.731 -10.719 2.674 1.00 1.22 H new ATOM 0 HB3 GLU A 11 -6.317 -10.494 1.663 1.00 1.22 H new ATOM 0 HG2 GLU A 11 -4.861 -11.464 3.224 1.00 1.36 H new ATOM 0 HG3 GLU A 11 -5.852 -11.012 4.597 1.00 1.36 H new ATOM 166 N SER A 12 -4.779 -7.863 1.905 1.00 1.00 N ATOM 167 CA SER A 12 -3.450 -7.295 1.721 1.00 1.04 C ATOM 168 C SER A 12 -3.276 -6.102 2.669 1.00 0.94 C ATOM 169 O SER A 12 -2.198 -5.853 3.208 1.00 0.93 O ATOM 170 CB SER A 12 -3.265 -6.895 0.252 1.00 1.12 C ATOM 171 OG SER A 12 -1.901 -6.643 -0.036 1.00 1.48 O ATOM 0 H SER A 12 -5.392 -7.796 1.092 1.00 1.00 H new ATOM 0 HA SER A 12 -2.682 -8.030 1.963 1.00 1.04 H new ATOM 0 HB2 SER A 12 -3.636 -7.690 -0.395 1.00 1.12 H new ATOM 0 HB3 SER A 12 -3.857 -6.005 0.036 1.00 1.12 H new ATOM 0 HG SER A 12 -1.807 -6.391 -0.978 1.00 1.48 H new ATOM 177 N ILE A 13 -4.355 -5.347 2.852 1.00 0.88 N ATOM 178 CA ILE A 13 -4.364 -4.089 3.567 1.00 0.71 C ATOM 179 C ILE A 13 -4.360 -4.346 5.070 1.00 0.63 C ATOM 180 O ILE A 13 -3.594 -3.699 5.784 1.00 0.61 O ATOM 181 CB ILE A 13 -5.589 -3.299 3.095 1.00 0.66 C ATOM 182 CG1 ILE A 13 -5.400 -3.001 1.600 1.00 0.93 C ATOM 183 CG2 ILE A 13 -5.836 -1.979 3.842 1.00 0.61 C ATOM 184 CD1 ILE A 13 -6.707 -2.549 0.978 1.00 0.70 C ATOM 0 H ILE A 13 -5.273 -5.608 2.493 1.00 0.88 H new ATOM 0 HA ILE A 13 -3.471 -3.499 3.360 1.00 0.71 H new ATOM 0 HB ILE A 13 -6.464 -3.916 3.301 1.00 0.66 H new ATOM 0 HG12 ILE A 13 -4.643 -2.228 1.470 1.00 0.93 H new ATOM 0 HG13 ILE A 13 -5.036 -3.892 1.089 1.00 0.93 H new ATOM 0 HG21 ILE A 13 -6.724 -1.493 3.438 1.00 0.61 H new ATOM 0 HG22 ILE A 13 -5.985 -2.183 4.902 1.00 0.61 H new ATOM 0 HG23 ILE A 13 -4.974 -1.323 3.717 1.00 0.61 H new ATOM 0 HD11 ILE A 13 -6.554 -2.342 -0.081 1.00 0.70 H new ATOM 0 HD12 ILE A 13 -7.454 -3.335 1.090 1.00 0.70 H new ATOM 0 HD13 ILE A 13 -7.054 -1.644 1.477 1.00 0.70 H new ATOM 196 N GLU A 14 -5.206 -5.267 5.559 1.00 0.67 N ATOM 197 CA GLU A 14 -5.135 -5.705 6.944 1.00 0.68 C ATOM 198 C GLU A 14 -3.708 -6.134 7.238 1.00 0.68 C ATOM 199 O GLU A 14 -3.121 -5.647 8.191 1.00 0.61 O ATOM 200 CB GLU A 14 -6.214 -6.709 7.366 1.00 0.91 C ATOM 201 CG GLU A 14 -6.002 -8.173 6.997 1.00 1.40 C ATOM 202 CD GLU A 14 -4.862 -8.863 7.751 1.00 2.55 C ATOM 203 OE1 GLU A 14 -4.541 -8.413 8.876 1.00 2.94 O ATOM 204 OE2 GLU A 14 -4.282 -9.796 7.154 1.00 3.75 O ATOM 0 H GLU A 14 -5.940 -5.715 5.011 1.00 0.67 H new ATOM 0 HA GLU A 14 -5.383 -4.860 7.586 1.00 0.68 H new ATOM 0 HB2 GLU A 14 -6.324 -6.648 8.449 1.00 0.91 H new ATOM 0 HB3 GLU A 14 -7.160 -6.387 6.931 1.00 0.91 H new ATOM 0 HG2 GLU A 14 -6.927 -8.719 7.185 1.00 1.40 H new ATOM 0 HG3 GLU A 14 -5.805 -8.239 5.927 1.00 1.40 H new ATOM 211 N THR A 15 -3.123 -6.957 6.369 1.00 0.82 N ATOM 212 CA THR A 15 -1.770 -7.454 6.551 1.00 0.91 C ATOM 213 C THR A 15 -0.796 -6.284 6.749 1.00 0.83 C ATOM 214 O THR A 15 -0.026 -6.293 7.708 1.00 0.85 O ATOM 215 CB THR A 15 -1.406 -8.429 5.421 1.00 1.12 C ATOM 216 OG1 THR A 15 -2.075 -9.662 5.629 1.00 1.36 O ATOM 217 CG2 THR A 15 0.095 -8.728 5.368 1.00 0.99 C ATOM 0 H THR A 15 -3.578 -7.295 5.521 1.00 0.82 H new ATOM 0 HA THR A 15 -1.695 -8.041 7.466 1.00 0.91 H new ATOM 0 HB THR A 15 -1.705 -7.955 4.486 1.00 1.12 H new ATOM 0 HG1 THR A 15 -2.814 -9.531 6.259 1.00 1.36 H new ATOM 0 HG21 THR A 15 0.299 -9.422 4.552 1.00 0.99 H new ATOM 0 HG22 THR A 15 0.645 -7.802 5.203 1.00 0.99 H new ATOM 0 HG23 THR A 15 0.411 -9.174 6.311 1.00 0.99 H new ATOM 225 N VAL A 16 -0.856 -5.233 5.921 1.00 0.79 N ATOM 226 CA VAL A 16 -0.037 -4.053 6.150 1.00 0.76 C ATOM 227 C VAL A 16 -0.291 -3.452 7.543 1.00 0.68 C ATOM 228 O VAL A 16 0.643 -3.336 8.338 1.00 0.73 O ATOM 229 CB VAL A 16 -0.252 -3.028 5.025 1.00 0.78 C ATOM 230 CG1 VAL A 16 0.446 -1.718 5.388 1.00 0.79 C ATOM 231 CG2 VAL A 16 0.328 -3.526 3.699 1.00 0.92 C ATOM 0 H VAL A 16 -1.457 -5.182 5.099 1.00 0.79 H new ATOM 0 HA VAL A 16 1.011 -4.350 6.130 1.00 0.76 H new ATOM 0 HB VAL A 16 -1.326 -2.879 4.911 1.00 0.78 H new ATOM 0 HG11 VAL A 16 0.293 -0.991 4.590 1.00 0.79 H new ATOM 0 HG12 VAL A 16 0.030 -1.329 6.317 1.00 0.79 H new ATOM 0 HG13 VAL A 16 1.513 -1.898 5.516 1.00 0.79 H new ATOM 0 HG21 VAL A 16 0.159 -2.778 2.924 1.00 0.92 H new ATOM 0 HG22 VAL A 16 1.399 -3.697 3.811 1.00 0.92 H new ATOM 0 HG23 VAL A 16 -0.160 -4.458 3.416 1.00 0.92 H new ATOM 241 N VAL A 17 -1.527 -3.033 7.847 1.00 0.58 N ATOM 242 CA VAL A 17 -1.809 -2.351 9.118 1.00 0.56 C ATOM 243 C VAL A 17 -1.419 -3.229 10.322 1.00 0.61 C ATOM 244 O VAL A 17 -0.875 -2.734 11.309 1.00 0.67 O ATOM 245 CB VAL A 17 -3.255 -1.825 9.202 1.00 0.54 C ATOM 246 CG1 VAL A 17 -3.541 -0.777 8.119 1.00 0.55 C ATOM 247 CG2 VAL A 17 -4.287 -2.941 9.073 1.00 0.55 C ATOM 0 H VAL A 17 -2.338 -3.152 7.240 1.00 0.58 H new ATOM 0 HA VAL A 17 -1.177 -1.464 9.155 1.00 0.56 H new ATOM 0 HB VAL A 17 -3.343 -1.370 10.189 1.00 0.54 H new ATOM 0 HG11 VAL A 17 -4.570 -0.430 8.211 1.00 0.55 H new ATOM 0 HG12 VAL A 17 -2.862 0.067 8.241 1.00 0.55 H new ATOM 0 HG13 VAL A 17 -3.395 -1.222 7.135 1.00 0.55 H new ATOM 0 HG21 VAL A 17 -5.290 -2.519 9.139 1.00 0.55 H new ATOM 0 HG22 VAL A 17 -4.165 -3.440 8.111 1.00 0.55 H new ATOM 0 HG23 VAL A 17 -4.144 -3.663 9.877 1.00 0.55 H new ATOM 257 N THR A 18 -1.673 -4.532 10.209 1.00 0.69 N ATOM 258 CA THR A 18 -1.281 -5.596 11.114 1.00 0.86 C ATOM 259 C THR A 18 0.231 -5.575 11.304 1.00 0.87 C ATOM 260 O THR A 18 0.700 -5.576 12.436 1.00 0.95 O ATOM 261 CB THR A 18 -1.774 -6.945 10.549 1.00 0.91 C ATOM 262 OG1 THR A 18 -3.166 -7.077 10.777 1.00 2.02 O ATOM 263 CG2 THR A 18 -1.019 -8.147 11.120 1.00 1.31 C ATOM 0 H THR A 18 -2.202 -4.893 9.415 1.00 0.69 H new ATOM 0 HA THR A 18 -1.737 -5.452 12.094 1.00 0.86 H new ATOM 0 HB THR A 18 -1.572 -6.939 9.478 1.00 0.91 H new ATOM 0 HG1 THR A 18 -3.541 -7.727 10.146 1.00 2.02 H new ATOM 0 HG21 THR A 18 -1.413 -9.065 10.683 1.00 1.31 H new ATOM 0 HG22 THR A 18 0.041 -8.057 10.882 1.00 1.31 H new ATOM 0 HG23 THR A 18 -1.147 -8.176 12.202 1.00 1.31 H new ATOM 271 N THR A 19 1.007 -5.566 10.220 1.00 0.86 N ATOM 272 CA THR A 19 2.459 -5.642 10.285 1.00 0.94 C ATOM 273 C THR A 19 3.051 -4.495 11.117 1.00 0.88 C ATOM 274 O THR A 19 4.021 -4.700 11.844 1.00 0.99 O ATOM 275 CB THR A 19 3.022 -5.770 8.860 1.00 0.99 C ATOM 276 OG1 THR A 19 3.076 -7.135 8.502 1.00 1.60 O ATOM 277 CG2 THR A 19 4.407 -5.150 8.653 1.00 0.98 C ATOM 0 H THR A 19 0.640 -5.505 9.270 1.00 0.86 H new ATOM 0 HA THR A 19 2.767 -6.538 10.823 1.00 0.94 H new ATOM 0 HB THR A 19 2.341 -5.205 8.224 1.00 0.99 H new ATOM 0 HG1 THR A 19 3.749 -7.590 9.049 1.00 1.60 H new ATOM 0 HG21 THR A 19 4.718 -5.291 7.618 1.00 0.98 H new ATOM 0 HG22 THR A 19 4.366 -4.084 8.877 1.00 0.98 H new ATOM 0 HG23 THR A 19 5.125 -5.633 9.316 1.00 0.98 H new ATOM 285 N PHE A 20 2.445 -3.303 11.115 1.00 0.83 N ATOM 286 CA PHE A 20 2.882 -2.246 12.031 1.00 0.84 C ATOM 287 C PHE A 20 2.870 -2.670 13.520 1.00 0.96 C ATOM 288 O PHE A 20 3.504 -2.013 14.343 1.00 1.14 O ATOM 289 CB PHE A 20 2.108 -0.946 11.807 1.00 0.76 C ATOM 290 CG PHE A 20 2.459 -0.202 10.535 1.00 0.71 C ATOM 291 CD1 PHE A 20 3.527 0.714 10.521 1.00 1.65 C ATOM 292 CD2 PHE A 20 1.698 -0.397 9.371 1.00 1.65 C ATOM 293 CE1 PHE A 20 3.801 1.459 9.362 1.00 1.66 C ATOM 294 CE2 PHE A 20 1.981 0.337 8.207 1.00 1.77 C ATOM 295 CZ PHE A 20 3.026 1.271 8.206 1.00 0.99 C ATOM 0 H PHE A 20 1.668 -3.050 10.504 1.00 0.83 H new ATOM 0 HA PHE A 20 3.928 -2.059 11.786 1.00 0.84 H new ATOM 0 HB2 PHE A 20 1.042 -1.173 11.795 1.00 0.76 H new ATOM 0 HB3 PHE A 20 2.283 -0.286 12.656 1.00 0.76 H new ATOM 0 HD1 PHE A 20 4.137 0.845 11.403 1.00 1.65 H new ATOM 0 HD2 PHE A 20 0.891 -1.115 9.371 1.00 1.65 H new ATOM 0 HE1 PHE A 20 4.608 2.177 9.360 1.00 1.66 H new ATOM 0 HE2 PHE A 20 1.394 0.182 7.314 1.00 1.77 H new ATOM 0 HZ PHE A 20 3.235 1.846 7.316 1.00 0.99 H new ATOM 305 N PHE A 21 2.144 -3.732 13.890 1.00 1.02 N ATOM 306 CA PHE A 21 2.223 -4.364 15.207 1.00 1.16 C ATOM 307 C PHE A 21 3.640 -4.866 15.502 1.00 1.22 C ATOM 308 O PHE A 21 4.153 -4.660 16.601 1.00 1.45 O ATOM 309 CB PHE A 21 1.215 -5.515 15.307 1.00 1.54 C ATOM 310 CG PHE A 21 1.108 -6.152 16.680 1.00 2.09 C ATOM 311 CD1 PHE A 21 0.494 -5.452 17.736 1.00 2.05 C ATOM 312 CD2 PHE A 21 1.553 -7.472 16.884 1.00 3.67 C ATOM 313 CE1 PHE A 21 0.335 -6.066 18.991 1.00 2.67 C ATOM 314 CE2 PHE A 21 1.364 -8.096 18.129 1.00 4.34 C ATOM 315 CZ PHE A 21 0.772 -7.387 19.188 1.00 3.57 C ATOM 0 H PHE A 21 1.473 -4.183 13.268 1.00 1.02 H new ATOM 0 HA PHE A 21 1.974 -3.611 15.955 1.00 1.16 H new ATOM 0 HB2 PHE A 21 0.232 -5.144 15.017 1.00 1.54 H new ATOM 0 HB3 PHE A 21 1.491 -6.284 14.586 1.00 1.54 H new ATOM 0 HD1 PHE A 21 0.145 -4.442 17.582 1.00 2.05 H new ATOM 0 HD2 PHE A 21 2.041 -8.006 16.082 1.00 3.67 H new ATOM 0 HE1 PHE A 21 -0.123 -5.522 19.804 1.00 2.67 H new ATOM 0 HE2 PHE A 21 1.674 -9.121 18.272 1.00 4.34 H new ATOM 0 HZ PHE A 21 0.653 -7.857 20.153 1.00 3.57 H new ATOM 325 N THR A 22 4.310 -5.484 14.522 1.00 1.48 N ATOM 326 CA THR A 22 5.696 -5.927 14.673 1.00 2.18 C ATOM 327 C THR A 22 6.586 -4.708 14.352 1.00 2.86 C ATOM 328 O THR A 22 7.534 -4.744 13.577 1.00 3.67 O ATOM 329 CB THR A 22 5.916 -7.259 13.888 1.00 2.85 C ATOM 330 OG1 THR A 22 7.219 -7.465 13.372 1.00 4.68 O ATOM 331 CG2 THR A 22 4.908 -7.555 12.772 1.00 2.75 C ATOM 0 H THR A 22 3.907 -5.689 13.608 1.00 1.48 H new ATOM 0 HA THR A 22 5.981 -6.224 15.682 1.00 2.18 H new ATOM 0 HB THR A 22 5.749 -7.967 14.700 1.00 2.85 H new ATOM 0 HG1 THR A 22 7.165 -7.647 12.410 1.00 4.68 H new ATOM 0 HG21 THR A 22 5.159 -8.503 12.297 1.00 2.75 H new ATOM 0 HG22 THR A 22 3.905 -7.615 13.194 1.00 2.75 H new ATOM 0 HG23 THR A 22 4.942 -6.757 12.030 1.00 2.75 H new ATOM 478 N ASP A 31 3.293 3.070 15.253 1.00 2.08 N ATOM 479 CA ASP A 31 2.999 3.548 13.906 1.00 1.99 C ATOM 480 C ASP A 31 4.256 3.268 13.081 1.00 2.17 C ATOM 481 O ASP A 31 4.915 2.256 13.325 1.00 3.19 O ATOM 482 CB ASP A 31 2.544 5.029 13.855 1.00 2.06 C ATOM 483 CG ASP A 31 1.486 5.233 12.781 1.00 2.28 C ATOM 484 OD1 ASP A 31 1.557 4.563 11.727 1.00 3.54 O ATOM 485 OD2 ASP A 31 0.457 5.869 13.092 1.00 2.33 O ATOM 0 HA ASP A 31 2.138 3.023 13.492 1.00 1.99 H new ATOM 0 HB2 ASP A 31 2.145 5.325 14.825 1.00 2.06 H new ATOM 0 HB3 ASP A 31 3.402 5.671 13.653 1.00 2.06 H new ATOM 490 N SER A 32 4.631 4.176 12.184 1.00 1.55 N ATOM 491 CA SER A 32 5.854 4.089 11.409 1.00 1.55 C ATOM 492 C SER A 32 7.059 4.574 12.229 1.00 1.41 C ATOM 493 O SER A 32 6.952 4.830 13.425 1.00 1.38 O ATOM 494 CB SER A 32 5.686 5.004 10.196 1.00 1.53 C ATOM 495 OG SER A 32 4.467 4.747 9.527 1.00 1.56 O ATOM 0 H SER A 32 4.078 5.008 11.975 1.00 1.55 H new ATOM 0 HA SER A 32 6.033 3.054 11.117 1.00 1.55 H new ATOM 0 HB2 SER A 32 5.716 6.046 10.516 1.00 1.53 H new ATOM 0 HB3 SER A 32 6.519 4.858 9.509 1.00 1.53 H new ATOM 0 HG SER A 32 4.640 4.210 8.726 1.00 1.56 H new ATOM 501 N LEU A 33 8.208 4.696 11.558 1.00 1.47 N ATOM 502 CA LEU A 33 9.456 5.175 12.118 1.00 1.38 C ATOM 503 C LEU A 33 9.582 6.672 11.816 1.00 1.19 C ATOM 504 O LEU A 33 8.617 7.306 11.378 1.00 1.16 O ATOM 505 CB LEU A 33 10.624 4.398 11.481 1.00 1.59 C ATOM 506 CG LEU A 33 10.604 2.867 11.587 1.00 1.72 C ATOM 507 CD1 LEU A 33 10.298 2.384 13.008 1.00 1.81 C ATOM 508 CD2 LEU A 33 9.665 2.242 10.556 1.00 1.78 C ATOM 0 H LEU A 33 8.288 4.452 10.571 1.00 1.47 H new ATOM 0 HA LEU A 33 9.478 5.021 13.197 1.00 1.38 H new ATOM 0 HB2 LEU A 33 10.665 4.661 10.424 1.00 1.59 H new ATOM 0 HB3 LEU A 33 11.550 4.754 11.933 1.00 1.59 H new ATOM 0 HG LEU A 33 11.612 2.523 11.355 1.00 1.72 H new ATOM 0 HD11 LEU A 33 10.295 1.294 13.029 1.00 1.81 H new ATOM 0 HD12 LEU A 33 11.060 2.758 13.692 1.00 1.81 H new ATOM 0 HD13 LEU A 33 9.320 2.755 13.316 1.00 1.81 H new ATOM 0 HD21 LEU A 33 9.678 1.157 10.662 1.00 1.78 H new ATOM 0 HD22 LEU A 33 8.652 2.610 10.716 1.00 1.78 H new ATOM 0 HD23 LEU A 33 9.995 2.512 9.553 1.00 1.78 H new ATOM 520 N SER A 34 10.786 7.219 11.994 1.00 1.14 N ATOM 521 CA SER A 34 11.105 8.566 11.538 1.00 0.99 C ATOM 522 C SER A 34 11.279 8.556 10.015 1.00 0.92 C ATOM 523 O SER A 34 11.320 7.486 9.410 1.00 0.91 O ATOM 524 CB SER A 34 12.342 9.114 12.266 1.00 1.13 C ATOM 525 OG SER A 34 12.369 8.673 13.610 1.00 1.58 O ATOM 0 H SER A 34 11.560 6.742 12.456 1.00 1.14 H new ATOM 0 HA SER A 34 10.283 9.240 11.781 1.00 0.99 H new ATOM 0 HB2 SER A 34 13.246 8.787 11.753 1.00 1.13 H new ATOM 0 HB3 SER A 34 12.335 10.204 12.236 1.00 1.13 H new ATOM 0 HG SER A 34 12.804 7.796 13.658 1.00 1.58 H new ATOM 531 N VAL A 35 11.375 9.717 9.362 1.00 0.94 N ATOM 532 CA VAL A 35 11.298 9.735 7.900 1.00 0.88 C ATOM 533 C VAL A 35 12.521 9.089 7.226 1.00 0.83 C ATOM 534 O VAL A 35 12.396 8.126 6.467 1.00 0.70 O ATOM 535 CB VAL A 35 11.071 11.154 7.371 1.00 0.98 C ATOM 536 CG1 VAL A 35 10.571 11.059 5.933 1.00 0.86 C ATOM 537 CG2 VAL A 35 10.019 11.958 8.145 1.00 1.18 C ATOM 0 H VAL A 35 11.502 10.628 9.804 1.00 0.94 H new ATOM 0 HA VAL A 35 10.435 9.125 7.635 1.00 0.88 H new ATOM 0 HB VAL A 35 12.027 11.667 7.473 1.00 0.98 H new ATOM 0 HG11 VAL A 35 10.404 12.061 5.539 1.00 0.86 H new ATOM 0 HG12 VAL A 35 11.315 10.549 5.322 1.00 0.86 H new ATOM 0 HG13 VAL A 35 9.636 10.499 5.909 1.00 0.86 H new ATOM 0 HG21 VAL A 35 9.922 12.950 7.704 1.00 1.18 H new ATOM 0 HG22 VAL A 35 9.059 11.444 8.096 1.00 1.18 H new ATOM 0 HG23 VAL A 35 10.327 12.053 9.186 1.00 1.18 H new ATOM 547 N ASN A 36 13.723 9.623 7.456 1.00 1.05 N ATOM 548 CA ASN A 36 14.918 9.047 6.837 1.00 1.14 C ATOM 549 C ASN A 36 15.189 7.653 7.403 1.00 1.06 C ATOM 550 O ASN A 36 15.602 6.757 6.671 1.00 1.01 O ATOM 551 CB ASN A 36 16.154 9.953 6.981 1.00 1.69 C ATOM 552 CG ASN A 36 16.509 10.671 5.675 1.00 2.89 C ATOM 553 OD1 ASN A 36 16.314 10.138 4.581 1.00 4.09 O ATOM 554 ND2 ASN A 36 17.058 11.875 5.760 1.00 2.96 N ATOM 0 H ASN A 36 13.893 10.434 8.051 1.00 1.05 H new ATOM 0 HA ASN A 36 14.720 8.962 5.768 1.00 1.14 H new ATOM 0 HB2 ASN A 36 15.970 10.693 7.760 1.00 1.69 H new ATOM 0 HB3 ASN A 36 17.005 9.353 7.305 1.00 1.69 H new ATOM 0 HD21 ASN A 36 17.326 12.374 4.912 1.00 2.96 H new ATOM 0 HD22 ASN A 36 17.212 12.302 6.673 1.00 2.96 H new ATOM 561 N GLU A 37 14.904 7.461 8.694 1.00 1.16 N ATOM 562 CA GLU A 37 14.919 6.153 9.336 1.00 1.19 C ATOM 563 C GLU A 37 14.109 5.169 8.484 1.00 1.04 C ATOM 564 O GLU A 37 14.632 4.151 8.040 1.00 1.04 O ATOM 565 CB GLU A 37 14.361 6.302 10.756 1.00 1.37 C ATOM 566 CG GLU A 37 14.449 5.027 11.603 1.00 1.52 C ATOM 567 CD GLU A 37 13.863 5.237 12.996 1.00 2.16 C ATOM 568 OE1 GLU A 37 13.040 6.172 13.132 1.00 3.06 O ATOM 569 OE2 GLU A 37 14.219 4.441 13.887 1.00 2.92 O ATOM 0 H GLU A 37 14.654 8.221 9.326 1.00 1.16 H new ATOM 0 HA GLU A 37 15.931 5.757 9.415 1.00 1.19 H new ATOM 0 HB2 GLU A 37 14.901 7.101 11.265 1.00 1.37 H new ATOM 0 HB3 GLU A 37 13.318 6.612 10.694 1.00 1.37 H new ATOM 0 HG2 GLU A 37 13.916 4.219 11.102 1.00 1.52 H new ATOM 0 HG3 GLU A 37 15.491 4.717 11.689 1.00 1.52 H new ATOM 576 N PHE A 38 12.848 5.511 8.193 1.00 0.96 N ATOM 577 CA PHE A 38 12.011 4.772 7.262 1.00 0.88 C ATOM 578 C PHE A 38 12.763 4.495 5.962 1.00 0.84 C ATOM 579 O PHE A 38 12.874 3.330 5.602 1.00 0.90 O ATOM 580 CB PHE A 38 10.668 5.480 7.034 1.00 0.80 C ATOM 581 CG PHE A 38 9.981 5.172 5.714 1.00 0.85 C ATOM 582 CD1 PHE A 38 10.227 5.971 4.581 1.00 2.01 C ATOM 583 CD2 PHE A 38 9.070 4.108 5.628 1.00 1.38 C ATOM 584 CE1 PHE A 38 9.585 5.683 3.364 1.00 2.09 C ATOM 585 CE2 PHE A 38 8.344 3.895 4.443 1.00 1.44 C ATOM 586 CZ PHE A 38 8.616 4.668 3.303 1.00 1.11 C ATOM 0 H PHE A 38 12.382 6.319 8.606 1.00 0.96 H new ATOM 0 HA PHE A 38 11.774 3.804 7.703 1.00 0.88 H new ATOM 0 HB2 PHE A 38 9.993 5.211 7.846 1.00 0.80 H new ATOM 0 HB3 PHE A 38 10.829 6.556 7.097 1.00 0.80 H new ATOM 0 HD1 PHE A 38 10.909 6.806 4.647 1.00 2.01 H new ATOM 0 HD2 PHE A 38 8.926 3.452 6.474 1.00 1.38 H new ATOM 0 HE1 PHE A 38 9.837 6.243 2.475 1.00 2.09 H new ATOM 0 HE2 PHE A 38 7.576 3.136 4.410 1.00 1.44 H new ATOM 0 HZ PHE A 38 8.082 4.483 2.383 1.00 1.11 H new ATOM 596 N LYS A 39 13.297 5.522 5.283 1.00 0.80 N ATOM 597 CA LYS A 39 14.045 5.332 4.035 1.00 0.81 C ATOM 598 C LYS A 39 15.075 4.201 4.186 1.00 0.85 C ATOM 599 O LYS A 39 15.151 3.285 3.362 1.00 0.87 O ATOM 600 CB LYS A 39 14.700 6.657 3.574 1.00 0.90 C ATOM 601 CG LYS A 39 15.371 6.548 2.190 1.00 1.03 C ATOM 602 CD LYS A 39 16.874 6.218 2.211 1.00 1.70 C ATOM 603 CE LYS A 39 17.820 7.427 2.374 1.00 2.50 C ATOM 604 NZ LYS A 39 17.731 8.137 3.670 1.00 3.60 N ATOM 0 H LYS A 39 13.223 6.495 5.580 1.00 0.80 H new ATOM 0 HA LYS A 39 13.346 5.033 3.254 1.00 0.81 H new ATOM 0 HB2 LYS A 39 13.942 7.439 3.543 1.00 0.90 H new ATOM 0 HB3 LYS A 39 15.444 6.963 4.309 1.00 0.90 H new ATOM 0 HG2 LYS A 39 14.855 5.780 1.614 1.00 1.03 H new ATOM 0 HG3 LYS A 39 15.230 7.491 1.661 1.00 1.03 H new ATOM 0 HD2 LYS A 39 17.063 5.519 3.026 1.00 1.70 H new ATOM 0 HD3 LYS A 39 17.128 5.703 1.284 1.00 1.70 H new ATOM 0 HE2 LYS A 39 18.846 7.084 2.237 1.00 2.50 H new ATOM 0 HE3 LYS A 39 17.612 8.139 1.575 1.00 2.50 H new ATOM 0 HZ1 LYS A 39 18.523 8.806 3.755 1.00 3.60 H new ATOM 0 HZ2 LYS A 39 16.832 8.657 3.720 1.00 3.60 H new ATOM 0 HZ3 LYS A 39 17.776 7.448 4.447 1.00 3.60 H new ATOM 618 N GLU A 40 15.872 4.284 5.251 1.00 0.93 N ATOM 619 CA GLU A 40 16.986 3.387 5.517 1.00 1.11 C ATOM 620 C GLU A 40 16.519 2.015 6.022 1.00 1.21 C ATOM 621 O GLU A 40 17.229 1.026 5.848 1.00 1.51 O ATOM 622 CB GLU A 40 17.969 4.108 6.448 1.00 1.41 C ATOM 623 CG GLU A 40 18.626 5.247 5.648 1.00 1.48 C ATOM 624 CD GLU A 40 19.003 6.457 6.482 1.00 2.13 C ATOM 625 OE1 GLU A 40 19.556 6.264 7.582 1.00 2.20 O ATOM 626 OE2 GLU A 40 18.729 7.564 5.960 1.00 3.84 O ATOM 0 H GLU A 40 15.754 4.998 5.970 1.00 0.93 H new ATOM 0 HA GLU A 40 17.513 3.150 4.593 1.00 1.11 H new ATOM 0 HB2 GLU A 40 17.449 4.504 7.320 1.00 1.41 H new ATOM 0 HB3 GLU A 40 18.725 3.414 6.816 1.00 1.41 H new ATOM 0 HG2 GLU A 40 19.522 4.863 5.160 1.00 1.48 H new ATOM 0 HG3 GLU A 40 17.943 5.562 4.859 1.00 1.48 H new ATOM 633 N LEU A 41 15.310 1.921 6.580 1.00 1.08 N ATOM 634 CA LEU A 41 14.665 0.641 6.840 1.00 1.13 C ATOM 635 C LEU A 41 14.173 0.034 5.522 1.00 1.09 C ATOM 636 O LEU A 41 14.620 -1.041 5.136 1.00 1.30 O ATOM 637 CB LEU A 41 13.520 0.808 7.858 1.00 1.14 C ATOM 638 CG LEU A 41 13.888 0.443 9.308 1.00 1.35 C ATOM 639 CD1 LEU A 41 14.085 -1.068 9.486 1.00 2.29 C ATOM 640 CD2 LEU A 41 15.115 1.206 9.821 1.00 2.87 C ATOM 0 H LEU A 41 14.756 2.730 6.862 1.00 1.08 H new ATOM 0 HA LEU A 41 15.388 -0.046 7.280 1.00 1.13 H new ATOM 0 HB2 LEU A 41 13.179 1.843 7.834 1.00 1.14 H new ATOM 0 HB3 LEU A 41 12.680 0.188 7.544 1.00 1.14 H new ATOM 0 HG LEU A 41 13.036 0.752 9.914 1.00 1.35 H new ATOM 0 HD11 LEU A 41 14.343 -1.282 10.523 1.00 2.29 H new ATOM 0 HD12 LEU A 41 13.163 -1.588 9.227 1.00 2.29 H new ATOM 0 HD13 LEU A 41 14.889 -1.409 8.834 1.00 2.29 H new ATOM 0 HD21 LEU A 41 15.326 0.907 10.848 1.00 2.87 H new ATOM 0 HD22 LEU A 41 15.975 0.977 9.192 1.00 2.87 H new ATOM 0 HD23 LEU A 41 14.917 2.277 9.788 1.00 2.87 H new ATOM 652 N VAL A 42 13.270 0.703 4.802 1.00 0.87 N ATOM 653 CA VAL A 42 12.572 0.082 3.680 1.00 0.74 C ATOM 654 C VAL A 42 13.526 -0.418 2.597 1.00 0.64 C ATOM 655 O VAL A 42 13.297 -1.491 2.043 1.00 0.66 O ATOM 656 CB VAL A 42 11.449 0.965 3.117 1.00 0.71 C ATOM 657 CG1 VAL A 42 10.376 1.196 4.183 1.00 1.48 C ATOM 658 CG2 VAL A 42 11.960 2.296 2.558 1.00 1.53 C ATOM 0 H VAL A 42 13.007 1.673 4.977 1.00 0.87 H new ATOM 0 HA VAL A 42 12.083 -0.804 4.085 1.00 0.74 H new ATOM 0 HB VAL A 42 11.011 0.429 2.275 1.00 0.71 H new ATOM 0 HG11 VAL A 42 9.585 1.823 3.773 1.00 1.48 H new ATOM 0 HG12 VAL A 42 9.957 0.238 4.491 1.00 1.48 H new ATOM 0 HG13 VAL A 42 10.821 1.691 5.046 1.00 1.48 H new ATOM 0 HG21 VAL A 42 11.120 2.876 2.175 1.00 1.53 H new ATOM 0 HG22 VAL A 42 12.457 2.856 3.350 1.00 1.53 H new ATOM 0 HG23 VAL A 42 12.667 2.104 1.751 1.00 1.53 H new ATOM 668 N THR A 43 14.626 0.290 2.326 1.00 0.65 N ATOM 669 CA THR A 43 15.642 -0.230 1.410 1.00 0.69 C ATOM 670 C THR A 43 16.072 -1.656 1.801 1.00 0.77 C ATOM 671 O THR A 43 16.272 -2.503 0.932 1.00 0.94 O ATOM 672 CB THR A 43 16.821 0.752 1.304 1.00 0.77 C ATOM 673 OG1 THR A 43 17.694 0.375 0.263 1.00 1.34 O ATOM 674 CG2 THR A 43 17.622 0.873 2.599 1.00 0.91 C ATOM 0 H THR A 43 14.833 1.208 2.720 1.00 0.65 H new ATOM 0 HA THR A 43 15.210 -0.313 0.413 1.00 0.69 H new ATOM 0 HB THR A 43 16.377 1.725 1.094 1.00 0.77 H new ATOM 0 HG1 THR A 43 18.436 1.013 0.211 1.00 1.34 H new ATOM 0 HG21 THR A 43 18.439 1.581 2.457 1.00 0.91 H new ATOM 0 HG22 THR A 43 16.970 1.227 3.398 1.00 0.91 H new ATOM 0 HG23 THR A 43 18.029 -0.102 2.867 1.00 0.91 H new ATOM 682 N GLN A 44 16.185 -1.935 3.103 1.00 0.77 N ATOM 683 CA GLN A 44 16.533 -3.242 3.642 1.00 0.88 C ATOM 684 C GLN A 44 15.363 -4.228 3.516 1.00 0.82 C ATOM 685 O GLN A 44 15.589 -5.434 3.489 1.00 0.94 O ATOM 686 CB GLN A 44 16.976 -3.066 5.104 1.00 0.98 C ATOM 687 CG GLN A 44 17.644 -4.308 5.699 1.00 1.70 C ATOM 688 CD GLN A 44 17.846 -4.126 7.199 1.00 1.95 C ATOM 689 OE1 GLN A 44 16.987 -4.498 7.993 1.00 2.82 O ATOM 690 NE2 GLN A 44 18.966 -3.537 7.605 1.00 2.62 N ATOM 0 H GLN A 44 16.031 -1.234 3.827 1.00 0.77 H new ATOM 0 HA GLN A 44 17.355 -3.668 3.067 1.00 0.88 H new ATOM 0 HB2 GLN A 44 17.669 -2.227 5.166 1.00 0.98 H new ATOM 0 HB3 GLN A 44 16.107 -2.807 5.709 1.00 0.98 H new ATOM 0 HG2 GLN A 44 17.028 -5.187 5.511 1.00 1.70 H new ATOM 0 HG3 GLN A 44 18.604 -4.482 5.213 1.00 1.70 H new ATOM 0 HE21 GLN A 44 19.662 -3.239 6.922 1.00 2.62 H new ATOM 0 HE22 GLN A 44 19.130 -3.383 8.600 1.00 2.62 H new ATOM 699 N GLN A 45 14.117 -3.742 3.446 1.00 0.93 N ATOM 700 CA GLN A 45 12.948 -4.585 3.210 1.00 1.01 C ATOM 701 C GLN A 45 12.808 -4.914 1.715 1.00 1.08 C ATOM 702 O GLN A 45 12.288 -5.981 1.395 1.00 1.21 O ATOM 703 CB GLN A 45 11.662 -3.944 3.765 1.00 1.03 C ATOM 704 CG GLN A 45 11.489 -4.015 5.290 1.00 1.02 C ATOM 705 CD GLN A 45 12.545 -3.285 6.112 1.00 1.40 C ATOM 706 OE1 GLN A 45 12.326 -2.152 6.524 1.00 2.55 O ATOM 707 NE2 GLN A 45 13.658 -3.946 6.416 1.00 1.69 N ATOM 0 H GLN A 45 13.896 -2.752 3.552 1.00 0.93 H new ATOM 0 HA GLN A 45 13.099 -5.520 3.750 1.00 1.01 H new ATOM 0 HB2 GLN A 45 11.640 -2.897 3.463 1.00 1.03 H new ATOM 0 HB3 GLN A 45 10.805 -4.428 3.297 1.00 1.03 H new ATOM 0 HG2 GLN A 45 10.511 -3.607 5.545 1.00 1.02 H new ATOM 0 HG3 GLN A 45 11.485 -5.064 5.588 1.00 1.02 H new ATOM 0 HE21 GLN A 45 13.806 -4.888 6.055 1.00 1.69 H new ATOM 0 HE22 GLN A 45 14.363 -3.511 7.011 1.00 1.69 H new ATOM 716 N LEU A 46 13.262 -4.028 0.811 1.00 1.02 N ATOM 717 CA LEU A 46 13.196 -4.229 -0.641 1.00 1.10 C ATOM 718 C LEU A 46 14.579 -4.431 -1.303 1.00 1.22 C ATOM 719 O LEU A 46 14.907 -3.729 -2.266 1.00 1.50 O ATOM 720 CB LEU A 46 12.484 -3.035 -1.309 1.00 1.15 C ATOM 721 CG LEU A 46 10.998 -2.845 -0.961 1.00 1.18 C ATOM 722 CD1 LEU A 46 10.769 -2.037 0.319 1.00 1.22 C ATOM 723 CD2 LEU A 46 10.309 -2.131 -2.128 1.00 1.80 C ATOM 0 H LEU A 46 13.690 -3.141 1.076 1.00 1.02 H new ATOM 0 HA LEU A 46 12.633 -5.150 -0.792 1.00 1.10 H new ATOM 0 HB2 LEU A 46 13.018 -2.124 -1.039 1.00 1.15 H new ATOM 0 HB3 LEU A 46 12.571 -3.146 -2.390 1.00 1.15 H new ATOM 0 HG LEU A 46 10.580 -3.837 -0.788 1.00 1.18 H new ATOM 0 HD11 LEU A 46 9.699 -1.942 0.503 1.00 1.22 H new ATOM 0 HD12 LEU A 46 11.238 -2.547 1.160 1.00 1.22 H new ATOM 0 HD13 LEU A 46 11.207 -1.045 0.206 1.00 1.22 H new ATOM 0 HD21 LEU A 46 9.254 -1.989 -1.896 1.00 1.80 H new ATOM 0 HD22 LEU A 46 10.779 -1.161 -2.289 1.00 1.80 H new ATOM 0 HD23 LEU A 46 10.404 -2.734 -3.031 1.00 1.80 H new ATOM 735 N PRO A 47 15.380 -5.442 -0.922 1.00 1.16 N ATOM 736 CA PRO A 47 16.656 -5.702 -1.570 1.00 1.27 C ATOM 737 C PRO A 47 16.492 -6.548 -2.836 1.00 1.01 C ATOM 738 O PRO A 47 17.471 -7.118 -3.323 1.00 1.13 O ATOM 739 CB PRO A 47 17.496 -6.412 -0.511 1.00 1.57 C ATOM 740 CG PRO A 47 16.440 -7.262 0.185 1.00 1.50 C ATOM 741 CD PRO A 47 15.204 -6.362 0.185 1.00 1.24 C ATOM 0 HA PRO A 47 17.132 -4.783 -1.912 1.00 1.27 H new ATOM 0 HB2 PRO A 47 18.287 -7.018 -0.952 1.00 1.57 H new ATOM 0 HB3 PRO A 47 17.975 -5.711 0.172 1.00 1.57 H new ATOM 0 HG2 PRO A 47 16.258 -8.194 -0.350 1.00 1.50 H new ATOM 0 HG3 PRO A 47 16.743 -7.529 1.198 1.00 1.50 H new ATOM 0 HD2 PRO A 47 14.294 -6.949 0.064 1.00 1.24 H new ATOM 0 HD3 PRO A 47 15.113 -5.824 1.129 1.00 1.24 H new ATOM 749 N HIS A 48 15.292 -6.610 -3.429 1.00 1.06 N ATOM 750 CA HIS A 48 15.155 -7.186 -4.758 1.00 1.16 C ATOM 751 C HIS A 48 16.080 -6.439 -5.721 1.00 1.29 C ATOM 752 O HIS A 48 16.691 -7.054 -6.592 1.00 2.41 O ATOM 753 CB HIS A 48 13.704 -7.187 -5.251 1.00 1.42 C ATOM 754 CG HIS A 48 13.594 -7.935 -6.558 1.00 2.21 C ATOM 755 ND1 HIS A 48 13.745 -9.296 -6.700 1.00 3.31 N ATOM 756 CD2 HIS A 48 13.665 -7.383 -7.812 1.00 2.88 C ATOM 757 CE1 HIS A 48 13.900 -9.549 -8.014 1.00 4.26 C ATOM 758 NE2 HIS A 48 13.851 -8.416 -8.739 1.00 4.05 N ATOM 0 H HIS A 48 14.423 -6.274 -3.014 1.00 1.06 H new ATOM 0 HA HIS A 48 15.449 -8.235 -4.713 1.00 1.16 H new ATOM 0 HB2 HIS A 48 13.059 -7.650 -4.504 1.00 1.42 H new ATOM 0 HB3 HIS A 48 13.356 -6.162 -5.381 1.00 1.42 H new ATOM 0 HD1 HIS A 48 13.740 -9.986 -5.949 1.00 3.31 H new ATOM 0 HD2 HIS A 48 13.590 -6.331 -8.045 1.00 2.88 H new ATOM 0 HE1 HIS A 48 14.045 -10.534 -8.432 1.00 4.26 H new ATOM 766 N LEU A 49 16.228 -5.124 -5.537 1.00 1.12 N ATOM 767 CA LEU A 49 17.206 -4.336 -6.279 1.00 1.15 C ATOM 768 C LEU A 49 17.577 -3.000 -5.619 1.00 1.11 C ATOM 769 O LEU A 49 18.561 -2.410 -6.050 1.00 1.14 O ATOM 770 CB LEU A 49 16.782 -4.168 -7.753 1.00 1.28 C ATOM 771 CG LEU A 49 17.783 -4.773 -8.753 1.00 1.40 C ATOM 772 CD1 LEU A 49 17.173 -4.745 -10.160 1.00 2.36 C ATOM 773 CD2 LEU A 49 19.123 -4.028 -8.773 1.00 2.43 C ATOM 0 H LEU A 49 15.675 -4.582 -4.873 1.00 1.12 H new ATOM 0 HA LEU A 49 18.131 -4.913 -6.257 1.00 1.15 H new ATOM 0 HB2 LEU A 49 15.808 -4.636 -7.898 1.00 1.28 H new ATOM 0 HB3 LEU A 49 16.661 -3.107 -7.969 1.00 1.28 H new ATOM 0 HG LEU A 49 17.982 -5.796 -8.433 1.00 1.40 H new ATOM 0 HD11 LEU A 49 17.879 -5.173 -10.871 1.00 2.36 H new ATOM 0 HD12 LEU A 49 16.252 -5.327 -10.169 1.00 2.36 H new ATOM 0 HD13 LEU A 49 16.954 -3.715 -10.441 1.00 2.36 H new ATOM 0 HD21 LEU A 49 19.790 -4.498 -9.496 1.00 2.43 H new ATOM 0 HD22 LEU A 49 18.957 -2.988 -9.055 1.00 2.43 H new ATOM 0 HD23 LEU A 49 19.576 -4.067 -7.782 1.00 2.43 H new ATOM 785 N LEU A 50 16.778 -2.498 -4.657 1.00 1.54 N ATOM 786 CA LEU A 50 16.899 -1.227 -3.932 1.00 1.82 C ATOM 787 C LEU A 50 17.513 -0.093 -4.757 1.00 1.97 C ATOM 788 O LEU A 50 18.368 0.659 -4.300 1.00 2.25 O ATOM 789 CB LEU A 50 17.541 -1.449 -2.553 1.00 2.01 C ATOM 790 CG LEU A 50 18.766 -2.380 -2.523 1.00 2.84 C ATOM 791 CD1 LEU A 50 19.993 -1.735 -3.162 1.00 4.61 C ATOM 792 CD2 LEU A 50 19.086 -2.739 -1.074 1.00 4.14 C ATOM 0 H LEU A 50 15.961 -3.021 -4.343 1.00 1.54 H new ATOM 0 HA LEU A 50 15.890 -0.858 -3.746 1.00 1.82 H new ATOM 0 HB2 LEU A 50 17.836 -0.480 -2.151 1.00 2.01 H new ATOM 0 HB3 LEU A 50 16.784 -1.855 -1.883 1.00 2.01 H new ATOM 0 HG LEU A 50 18.521 -3.273 -3.099 1.00 2.84 H new ATOM 0 HD11 LEU A 50 20.833 -2.428 -3.118 1.00 4.61 H new ATOM 0 HD12 LEU A 50 19.776 -1.493 -4.202 1.00 4.61 H new ATOM 0 HD13 LEU A 50 20.247 -0.823 -2.622 1.00 4.61 H new ATOM 0 HD21 LEU A 50 19.953 -3.399 -1.046 1.00 4.14 H new ATOM 0 HD22 LEU A 50 19.303 -1.830 -0.513 1.00 4.14 H new ATOM 0 HD23 LEU A 50 18.230 -3.245 -0.627 1.00 4.14 H new ATOM 804 N LYS A 51 17.085 -0.028 -6.015 1.00 1.88 N ATOM 805 CA LYS A 51 17.728 0.789 -7.031 1.00 2.03 C ATOM 806 C LYS A 51 17.250 2.244 -7.041 1.00 1.89 C ATOM 807 O LYS A 51 18.026 3.121 -7.404 1.00 2.06 O ATOM 808 CB LYS A 51 17.601 0.079 -8.379 1.00 2.09 C ATOM 809 CG LYS A 51 16.134 -0.153 -8.759 1.00 1.87 C ATOM 810 CD LYS A 51 15.725 0.763 -9.910 1.00 1.72 C ATOM 811 CE LYS A 51 15.955 0.116 -11.277 1.00 2.24 C ATOM 812 NZ LYS A 51 17.380 -0.193 -11.521 1.00 3.22 N ATOM 0 H LYS A 51 16.276 -0.546 -6.357 1.00 1.88 H new ATOM 0 HA LYS A 51 18.787 0.886 -6.792 1.00 2.03 H new ATOM 0 HB2 LYS A 51 18.088 0.674 -9.152 1.00 2.09 H new ATOM 0 HB3 LYS A 51 18.122 -0.877 -8.338 1.00 2.09 H new ATOM 0 HG2 LYS A 51 15.988 -1.194 -9.046 1.00 1.87 H new ATOM 0 HG3 LYS A 51 15.495 0.032 -7.895 1.00 1.87 H new ATOM 0 HD2 LYS A 51 14.672 1.024 -9.807 1.00 1.72 H new ATOM 0 HD3 LYS A 51 16.291 1.692 -9.851 1.00 1.72 H new ATOM 0 HE2 LYS A 51 15.370 -0.801 -11.345 1.00 2.24 H new ATOM 0 HE3 LYS A 51 15.592 0.784 -12.058 1.00 2.24 H new ATOM 0 HZ1 LYS A 51 17.504 -0.503 -12.506 1.00 3.22 H new ATOM 0 HZ2 LYS A 51 17.954 0.657 -11.350 1.00 3.22 H new ATOM 0 HZ3 LYS A 51 17.686 -0.952 -10.879 1.00 3.22 H new ATOM 826 N ASP A 52 15.948 2.441 -6.782 1.00 1.56 N ATOM 827 CA ASP A 52 15.211 3.698 -6.804 1.00 1.17 C ATOM 828 C ASP A 52 15.728 4.790 -7.746 1.00 1.02 C ATOM 829 O ASP A 52 16.585 5.588 -7.388 1.00 1.36 O ATOM 830 CB ASP A 52 14.569 4.134 -5.463 1.00 2.02 C ATOM 831 CG ASP A 52 15.397 4.799 -4.368 1.00 2.74 C ATOM 832 OD1 ASP A 52 16.628 4.600 -4.357 1.00 3.22 O ATOM 833 OD2 ASP A 52 14.743 5.446 -3.505 1.00 4.18 O ATOM 0 H ASP A 52 15.343 1.659 -6.533 1.00 1.56 H new ATOM 0 HA ASP A 52 14.314 3.423 -7.360 1.00 1.17 H new ATOM 0 HB2 ASP A 52 13.757 4.818 -5.707 1.00 2.02 H new ATOM 0 HB3 ASP A 52 14.116 3.245 -5.024 1.00 2.02 H new ATOM 838 N VAL A 53 15.189 4.811 -8.976 1.00 0.94 N ATOM 839 CA VAL A 53 15.458 5.837 -9.976 1.00 1.14 C ATOM 840 C VAL A 53 14.169 6.558 -10.375 1.00 1.18 C ATOM 841 O VAL A 53 13.068 6.071 -10.111 1.00 1.56 O ATOM 842 CB VAL A 53 16.168 5.241 -11.206 1.00 1.87 C ATOM 843 CG1 VAL A 53 17.528 4.646 -10.824 1.00 3.68 C ATOM 844 CG2 VAL A 53 15.315 4.189 -11.931 1.00 3.25 C ATOM 0 H VAL A 53 14.540 4.095 -9.302 1.00 0.94 H new ATOM 0 HA VAL A 53 16.130 6.572 -9.533 1.00 1.14 H new ATOM 0 HB VAL A 53 16.323 6.067 -11.900 1.00 1.87 H new ATOM 0 HG11 VAL A 53 18.007 4.233 -11.712 1.00 3.68 H new ATOM 0 HG12 VAL A 53 18.161 5.426 -10.401 1.00 3.68 H new ATOM 0 HG13 VAL A 53 17.385 3.855 -10.087 1.00 3.68 H new ATOM 0 HG21 VAL A 53 15.865 3.803 -12.789 1.00 3.25 H new ATOM 0 HG22 VAL A 53 15.088 3.371 -11.248 1.00 3.25 H new ATOM 0 HG23 VAL A 53 14.386 4.646 -12.271 1.00 3.25 H new ATOM 854 N GLY A 54 14.312 7.710 -11.038 1.00 1.49 N ATOM 855 CA GLY A 54 13.219 8.495 -11.594 1.00 1.96 C ATOM 856 C GLY A 54 12.349 9.106 -10.500 1.00 1.89 C ATOM 857 O GLY A 54 12.462 10.289 -10.200 1.00 2.20 O ATOM 0 H GLY A 54 15.226 8.131 -11.205 1.00 1.49 H new ATOM 0 HA2 GLY A 54 13.624 9.288 -12.222 1.00 1.96 H new ATOM 0 HA3 GLY A 54 12.606 7.862 -12.235 1.00 1.96 H new ATOM 861 N SER A 55 11.495 8.284 -9.892 1.00 1.62 N ATOM 862 CA SER A 55 10.602 8.691 -8.815 1.00 1.68 C ATOM 863 C SER A 55 11.371 8.905 -7.507 1.00 1.55 C ATOM 864 O SER A 55 10.833 9.523 -6.591 1.00 1.74 O ATOM 865 CB SER A 55 9.475 7.668 -8.669 1.00 1.63 C ATOM 866 OG SER A 55 8.444 8.140 -7.824 1.00 1.36 O ATOM 0 H SER A 55 11.405 7.299 -10.141 1.00 1.62 H new ATOM 0 HA SER A 55 10.153 9.652 -9.065 1.00 1.68 H new ATOM 0 HB2 SER A 55 9.063 7.438 -9.652 1.00 1.63 H new ATOM 0 HB3 SER A 55 9.878 6.738 -8.267 1.00 1.63 H new ATOM 0 HG SER A 55 8.831 8.695 -7.115 1.00 1.36 H new ATOM 872 N LEU A 56 12.599 8.370 -7.416 1.00 1.32 N ATOM 873 CA LEU A 56 13.483 8.529 -6.264 1.00 1.23 C ATOM 874 C LEU A 56 13.426 9.947 -5.709 1.00 1.21 C ATOM 875 O LEU A 56 13.319 10.148 -4.505 1.00 1.14 O ATOM 876 CB LEU A 56 14.926 8.109 -6.609 1.00 1.24 C ATOM 877 CG LEU A 56 15.889 9.198 -7.138 1.00 2.71 C ATOM 878 CD1 LEU A 56 17.341 8.757 -6.994 1.00 2.65 C ATOM 879 CD2 LEU A 56 15.660 9.561 -8.611 1.00 5.07 C ATOM 0 H LEU A 56 13.008 7.804 -8.160 1.00 1.32 H new ATOM 0 HA LEU A 56 13.127 7.863 -5.478 1.00 1.23 H new ATOM 0 HB2 LEU A 56 15.371 7.675 -5.714 1.00 1.24 H new ATOM 0 HB3 LEU A 56 14.874 7.317 -7.356 1.00 1.24 H new ATOM 0 HG LEU A 56 15.679 10.077 -6.529 1.00 2.71 H new ATOM 0 HD11 LEU A 56 17.998 9.540 -7.373 1.00 2.65 H new ATOM 0 HD12 LEU A 56 17.563 8.574 -5.943 1.00 2.65 H new ATOM 0 HD13 LEU A 56 17.501 7.841 -7.563 1.00 2.65 H new ATOM 0 HD21 LEU A 56 16.372 10.330 -8.911 1.00 5.07 H new ATOM 0 HD22 LEU A 56 15.801 8.675 -9.230 1.00 5.07 H new ATOM 0 HD23 LEU A 56 14.645 9.936 -8.740 1.00 5.07 H new ATOM 891 N ASP A 57 13.538 10.912 -6.622 1.00 1.37 N ATOM 892 CA ASP A 57 13.740 12.322 -6.323 1.00 1.47 C ATOM 893 C ASP A 57 12.641 12.842 -5.394 1.00 1.32 C ATOM 894 O ASP A 57 12.930 13.250 -4.270 1.00 1.23 O ATOM 895 CB ASP A 57 13.847 13.116 -7.632 1.00 1.75 C ATOM 896 CG ASP A 57 14.087 14.596 -7.379 1.00 2.28 C ATOM 897 OD1 ASP A 57 14.755 14.918 -6.377 1.00 2.65 O ATOM 898 OD2 ASP A 57 13.544 15.417 -8.152 1.00 3.57 O ATOM 0 H ASP A 57 13.488 10.723 -7.623 1.00 1.37 H new ATOM 0 HA ASP A 57 14.679 12.455 -5.785 1.00 1.47 H new ATOM 0 HB2 ASP A 57 14.661 12.714 -8.235 1.00 1.75 H new ATOM 0 HB3 ASP A 57 12.931 12.990 -8.209 1.00 1.75 H new ATOM 903 N GLU A 58 11.378 12.785 -5.831 1.00 1.34 N ATOM 904 CA GLU A 58 10.194 13.077 -5.022 1.00 1.29 C ATOM 905 C GLU A 58 10.323 12.525 -3.604 1.00 1.07 C ATOM 906 O GLU A 58 10.109 13.251 -2.629 1.00 1.11 O ATOM 907 CB GLU A 58 8.943 12.509 -5.716 1.00 1.35 C ATOM 908 CG GLU A 58 8.376 13.479 -6.765 1.00 1.92 C ATOM 909 CD GLU A 58 9.459 14.077 -7.643 1.00 2.76 C ATOM 910 OE1 GLU A 58 10.217 13.280 -8.234 1.00 3.63 O ATOM 911 OE2 GLU A 58 9.583 15.324 -7.618 1.00 3.98 O ATOM 0 H GLU A 58 11.146 12.525 -6.790 1.00 1.34 H new ATOM 0 HA GLU A 58 10.100 14.159 -4.935 1.00 1.29 H new ATOM 0 HB2 GLU A 58 9.193 11.562 -6.195 1.00 1.35 H new ATOM 0 HB3 GLU A 58 8.179 12.296 -4.968 1.00 1.35 H new ATOM 0 HG2 GLU A 58 7.654 12.953 -7.390 1.00 1.92 H new ATOM 0 HG3 GLU A 58 7.837 14.281 -6.261 1.00 1.92 H new ATOM 918 N LYS A 59 10.700 11.257 -3.478 1.00 0.94 N ATOM 919 CA LYS A 59 10.859 10.642 -2.175 1.00 0.85 C ATOM 920 C LYS A 59 11.999 11.321 -1.416 1.00 0.87 C ATOM 921 O LYS A 59 11.796 11.816 -0.311 1.00 0.90 O ATOM 922 CB LYS A 59 11.056 9.124 -2.322 1.00 0.89 C ATOM 923 CG LYS A 59 9.935 8.402 -1.567 1.00 0.98 C ATOM 924 CD LYS A 59 9.973 6.880 -1.732 1.00 1.01 C ATOM 925 CE LYS A 59 11.304 6.264 -1.274 1.00 1.12 C ATOM 926 NZ LYS A 59 12.232 6.037 -2.421 1.00 1.59 N ATOM 0 H LYS A 59 10.900 10.639 -4.265 1.00 0.94 H new ATOM 0 HA LYS A 59 9.953 10.783 -1.585 1.00 0.85 H new ATOM 0 HB2 LYS A 59 11.043 8.843 -3.375 1.00 0.89 H new ATOM 0 HB3 LYS A 59 12.028 8.830 -1.925 1.00 0.89 H new ATOM 0 HG2 LYS A 59 10.004 8.647 -0.507 1.00 0.98 H new ATOM 0 HG3 LYS A 59 8.972 8.774 -1.918 1.00 0.98 H new ATOM 0 HD2 LYS A 59 9.157 6.437 -1.161 1.00 1.01 H new ATOM 0 HD3 LYS A 59 9.803 6.628 -2.779 1.00 1.01 H new ATOM 0 HE2 LYS A 59 11.779 6.923 -0.547 1.00 1.12 H new ATOM 0 HE3 LYS A 59 11.112 5.318 -0.769 1.00 1.12 H new ATOM 0 HZ1 LYS A 59 13.212 6.201 -2.113 1.00 1.59 H new ATOM 0 HZ2 LYS A 59 12.135 5.058 -2.758 1.00 1.59 H new ATOM 0 HZ3 LYS A 59 11.997 6.693 -3.193 1.00 1.59 H new ATOM 940 N MET A 60 13.192 11.355 -2.008 1.00 0.92 N ATOM 941 CA MET A 60 14.397 11.924 -1.428 1.00 1.02 C ATOM 942 C MET A 60 14.120 13.317 -0.864 1.00 1.03 C ATOM 943 O MET A 60 14.384 13.563 0.311 1.00 1.04 O ATOM 944 CB MET A 60 15.509 11.935 -2.487 1.00 1.22 C ATOM 945 CG MET A 60 16.877 12.286 -1.888 1.00 1.38 C ATOM 946 SD MET A 60 18.225 12.492 -3.086 1.00 2.08 S ATOM 947 CE MET A 60 18.210 10.886 -3.915 1.00 3.64 C ATOM 0 H MET A 60 13.346 10.971 -2.940 1.00 0.92 H new ATOM 0 HA MET A 60 14.730 11.311 -0.591 1.00 1.02 H new ATOM 0 HB2 MET A 60 15.564 10.956 -2.964 1.00 1.22 H new ATOM 0 HB3 MET A 60 15.260 12.656 -3.266 1.00 1.22 H new ATOM 0 HG2 MET A 60 16.778 13.209 -1.317 1.00 1.38 H new ATOM 0 HG3 MET A 60 17.157 11.503 -1.183 1.00 1.38 H new ATOM 0 HE1 MET A 60 19.082 10.803 -4.564 1.00 3.64 H new ATOM 0 HE2 MET A 60 18.236 10.091 -3.169 1.00 3.64 H new ATOM 0 HE3 MET A 60 17.303 10.793 -4.512 1.00 3.64 H new ATOM 957 N LYS A 61 13.570 14.219 -1.684 1.00 1.09 N ATOM 958 CA LYS A 61 13.269 15.573 -1.234 1.00 1.17 C ATOM 959 C LYS A 61 12.251 15.530 -0.091 1.00 1.12 C ATOM 960 O LYS A 61 12.481 16.109 0.968 1.00 1.12 O ATOM 961 CB LYS A 61 12.848 16.482 -2.403 1.00 1.32 C ATOM 962 CG LYS A 61 11.510 16.080 -3.037 1.00 1.80 C ATOM 963 CD LYS A 61 11.172 16.826 -4.328 1.00 2.13 C ATOM 964 CE LYS A 61 12.213 16.543 -5.423 1.00 2.10 C ATOM 965 NZ LYS A 61 11.680 16.663 -6.796 1.00 2.87 N ATOM 0 H LYS A 61 13.327 14.033 -2.657 1.00 1.09 H new ATOM 0 HA LYS A 61 14.176 16.027 -0.835 1.00 1.17 H new ATOM 0 HB2 LYS A 61 12.779 17.510 -2.047 1.00 1.32 H new ATOM 0 HB3 LYS A 61 13.625 16.461 -3.168 1.00 1.32 H new ATOM 0 HG2 LYS A 61 11.527 15.010 -3.244 1.00 1.80 H new ATOM 0 HG3 LYS A 61 10.713 16.252 -2.313 1.00 1.80 H new ATOM 0 HD2 LYS A 61 10.184 16.526 -4.676 1.00 2.13 H new ATOM 0 HD3 LYS A 61 11.129 17.897 -4.131 1.00 2.13 H new ATOM 0 HE2 LYS A 61 13.048 17.234 -5.305 1.00 2.10 H new ATOM 0 HE3 LYS A 61 12.610 15.537 -5.283 1.00 2.10 H new ATOM 0 HZ1 LYS A 61 12.416 16.393 -7.479 1.00 2.87 H new ATOM 0 HZ2 LYS A 61 10.859 16.034 -6.906 1.00 2.87 H new ATOM 0 HZ3 LYS A 61 11.389 17.646 -6.971 1.00 2.87 H new ATOM 979 N SER A 62 11.135 14.820 -0.286 1.00 1.13 N ATOM 980 CA SER A 62 10.107 14.690 0.741 1.00 1.16 C ATOM 981 C SER A 62 10.688 14.216 2.077 1.00 1.14 C ATOM 982 O SER A 62 10.288 14.722 3.122 1.00 1.23 O ATOM 983 CB SER A 62 8.973 13.771 0.282 1.00 1.21 C ATOM 984 OG SER A 62 8.346 14.321 -0.860 1.00 2.03 O ATOM 0 H SER A 62 10.924 14.325 -1.153 1.00 1.13 H new ATOM 0 HA SER A 62 9.692 15.685 0.901 1.00 1.16 H new ATOM 0 HB2 SER A 62 9.365 12.781 0.052 1.00 1.21 H new ATOM 0 HB3 SER A 62 8.245 13.647 1.084 1.00 1.21 H new ATOM 0 HG SER A 62 8.769 13.965 -1.669 1.00 2.03 H new ATOM 990 N LEU A 63 11.630 13.265 2.054 1.00 1.09 N ATOM 991 CA LEU A 63 12.354 12.901 3.261 1.00 1.11 C ATOM 992 C LEU A 63 13.141 14.111 3.751 1.00 1.15 C ATOM 993 O LEU A 63 12.895 14.586 4.857 1.00 1.26 O ATOM 994 CB LEU A 63 13.257 11.667 3.070 1.00 1.11 C ATOM 995 CG LEU A 63 12.578 10.289 2.935 1.00 1.38 C ATOM 996 CD1 LEU A 63 11.080 10.275 2.591 1.00 1.56 C ATOM 997 CD2 LEU A 63 13.316 9.492 1.856 1.00 2.02 C ATOM 0 H LEU A 63 11.901 12.744 1.220 1.00 1.09 H new ATOM 0 HA LEU A 63 11.629 12.609 4.020 1.00 1.11 H new ATOM 0 HB2 LEU A 63 13.862 11.830 2.178 1.00 1.11 H new ATOM 0 HB3 LEU A 63 13.943 11.620 3.916 1.00 1.11 H new ATOM 0 HG LEU A 63 12.640 9.857 3.934 1.00 1.38 H new ATOM 0 HD11 LEU A 63 10.731 9.244 2.527 1.00 1.56 H new ATOM 0 HD12 LEU A 63 10.523 10.799 3.368 1.00 1.56 H new ATOM 0 HD13 LEU A 63 10.922 10.772 1.634 1.00 1.56 H new ATOM 0 HD21 LEU A 63 12.851 8.513 1.745 1.00 2.02 H new ATOM 0 HD22 LEU A 63 13.264 10.028 0.908 1.00 2.02 H new ATOM 0 HD23 LEU A 63 14.359 9.367 2.146 1.00 2.02 H new ATOM 1009 N ASP A 64 14.066 14.613 2.930 1.00 1.12 N ATOM 1010 CA ASP A 64 15.019 15.651 3.311 1.00 1.19 C ATOM 1011 C ASP A 64 14.350 16.807 4.063 1.00 1.26 C ATOM 1012 O ASP A 64 14.791 17.169 5.154 1.00 1.36 O ATOM 1013 CB ASP A 64 15.747 16.152 2.062 1.00 1.18 C ATOM 1014 CG ASP A 64 16.766 17.221 2.425 1.00 1.35 C ATOM 1015 OD1 ASP A 64 17.863 16.821 2.871 1.00 1.79 O ATOM 1016 OD2 ASP A 64 16.424 18.409 2.249 1.00 2.49 O ATOM 0 H ASP A 64 14.173 14.302 1.965 1.00 1.12 H new ATOM 0 HA ASP A 64 15.741 15.215 4.001 1.00 1.19 H new ATOM 0 HB2 ASP A 64 16.247 15.319 1.568 1.00 1.18 H new ATOM 0 HB3 ASP A 64 15.025 16.557 1.352 1.00 1.18 H new ATOM 1021 N VAL A 65 13.249 17.319 3.496 1.00 1.24 N ATOM 1022 CA VAL A 65 12.539 18.528 3.929 1.00 1.36 C ATOM 1023 C VAL A 65 12.481 18.651 5.448 1.00 1.32 C ATOM 1024 O VAL A 65 12.933 19.637 6.023 1.00 1.50 O ATOM 1025 CB VAL A 65 11.117 18.506 3.336 1.00 1.40 C ATOM 1026 CG1 VAL A 65 10.131 19.467 4.015 1.00 2.00 C ATOM 1027 CG2 VAL A 65 11.191 18.894 1.867 1.00 2.11 C ATOM 0 H VAL A 65 12.810 16.881 2.686 1.00 1.24 H new ATOM 0 HA VAL A 65 13.087 19.398 3.566 1.00 1.36 H new ATOM 0 HB VAL A 65 10.745 17.494 3.493 1.00 1.40 H new ATOM 0 HG11 VAL A 65 9.156 19.387 3.535 1.00 2.00 H new ATOM 0 HG12 VAL A 65 10.039 19.208 5.070 1.00 2.00 H new ATOM 0 HG13 VAL A 65 10.497 20.489 3.923 1.00 2.00 H new ATOM 0 HG21 VAL A 65 10.190 18.882 1.437 1.00 2.11 H new ATOM 0 HG22 VAL A 65 11.613 19.895 1.776 1.00 2.11 H new ATOM 0 HG23 VAL A 65 11.823 18.184 1.334 1.00 2.11 H new ATOM 1037 N ASN A 66 11.875 17.650 6.081 1.00 1.15 N ATOM 1038 CA ASN A 66 11.809 17.560 7.540 1.00 1.09 C ATOM 1039 C ASN A 66 11.956 16.106 7.978 1.00 0.98 C ATOM 1040 O ASN A 66 11.101 15.558 8.678 1.00 0.93 O ATOM 1041 CB ASN A 66 10.516 18.199 8.079 1.00 1.12 C ATOM 1042 CG ASN A 66 10.599 19.722 8.144 1.00 1.69 C ATOM 1043 OD1 ASN A 66 11.370 20.271 8.924 1.00 2.17 O ATOM 1044 ND2 ASN A 66 9.783 20.427 7.365 1.00 2.72 N ATOM 0 H ASN A 66 11.415 16.878 5.599 1.00 1.15 H new ATOM 0 HA ASN A 66 12.637 18.125 7.967 1.00 1.09 H new ATOM 0 HB2 ASN A 66 9.680 17.911 7.442 1.00 1.12 H new ATOM 0 HB3 ASN A 66 10.309 17.807 9.075 1.00 1.12 H new ATOM 0 HD21 ASN A 66 9.790 21.446 7.409 1.00 2.72 H new ATOM 0 HD22 ASN A 66 9.150 19.949 6.724 1.00 2.72 H new ATOM 1051 N GLN A 67 13.081 15.486 7.604 1.00 1.11 N ATOM 1052 CA GLN A 67 13.283 14.063 7.839 1.00 1.17 C ATOM 1053 C GLN A 67 13.198 13.652 9.305 1.00 1.27 C ATOM 1054 O GLN A 67 12.936 12.492 9.619 1.00 1.41 O ATOM 1055 CB GLN A 67 14.619 13.571 7.287 1.00 1.38 C ATOM 1056 CG GLN A 67 15.820 14.387 7.804 1.00 1.52 C ATOM 1057 CD GLN A 67 16.676 13.597 8.789 1.00 1.85 C ATOM 1058 OE1 GLN A 67 17.521 12.811 8.373 1.00 2.70 O ATOM 1059 NE2 GLN A 67 16.473 13.773 10.091 1.00 2.89 N ATOM 0 H GLN A 67 13.860 15.951 7.139 1.00 1.11 H new ATOM 0 HA GLN A 67 12.456 13.594 7.306 1.00 1.17 H new ATOM 0 HB2 GLN A 67 14.754 12.524 7.558 1.00 1.38 H new ATOM 0 HB3 GLN A 67 14.596 13.618 6.198 1.00 1.38 H new ATOM 0 HG2 GLN A 67 16.435 14.698 6.960 1.00 1.52 H new ATOM 0 HG3 GLN A 67 15.459 15.295 8.287 1.00 1.52 H new ATOM 0 HE21 GLN A 67 15.764 14.433 10.412 1.00 2.89 H new ATOM 0 HE22 GLN A 67 17.026 13.249 10.769 1.00 2.89 H new ATOM 1068 N ASP A 68 13.504 14.606 10.182 1.00 1.31 N ATOM 1069 CA ASP A 68 13.495 14.426 11.620 1.00 1.42 C ATOM 1070 C ASP A 68 12.123 13.974 12.128 1.00 1.39 C ATOM 1071 O ASP A 68 12.031 13.286 13.142 1.00 1.65 O ATOM 1072 CB ASP A 68 13.922 15.758 12.247 1.00 1.47 C ATOM 1073 CG ASP A 68 13.936 15.689 13.765 1.00 1.96 C ATOM 1074 OD1 ASP A 68 14.916 15.118 14.289 1.00 2.71 O ATOM 1075 OD2 ASP A 68 12.987 16.238 14.362 1.00 2.75 O ATOM 0 H ASP A 68 13.771 15.548 9.898 1.00 1.31 H new ATOM 0 HA ASP A 68 14.188 13.635 11.905 1.00 1.42 H new ATOM 0 HB2 ASP A 68 14.915 16.028 11.886 1.00 1.47 H new ATOM 0 HB3 ASP A 68 13.241 16.546 11.925 1.00 1.47 H new ATOM 1080 N SER A 69 11.054 14.347 11.415 1.00 1.21 N ATOM 1081 CA SER A 69 9.703 14.013 11.830 1.00 1.33 C ATOM 1082 C SER A 69 9.441 12.499 11.825 1.00 1.57 C ATOM 1083 O SER A 69 10.252 11.682 11.382 1.00 2.75 O ATOM 1084 CB SER A 69 8.693 14.746 10.938 1.00 1.21 C ATOM 1085 OG SER A 69 7.394 14.685 11.506 1.00 2.23 O ATOM 0 H SER A 69 11.107 14.881 10.548 1.00 1.21 H new ATOM 0 HA SER A 69 9.583 14.342 12.862 1.00 1.33 H new ATOM 0 HB2 SER A 69 8.995 15.786 10.816 1.00 1.21 H new ATOM 0 HB3 SER A 69 8.684 14.298 9.944 1.00 1.21 H new ATOM 0 HG SER A 69 6.761 15.158 10.927 1.00 2.23 H new ATOM 1091 N GLU A 70 8.241 12.154 12.282 1.00 0.89 N ATOM 1092 CA GLU A 70 7.671 10.827 12.162 1.00 0.84 C ATOM 1093 C GLU A 70 7.176 10.615 10.737 1.00 1.04 C ATOM 1094 O GLU A 70 7.000 11.560 9.969 1.00 1.46 O ATOM 1095 CB GLU A 70 6.468 10.703 13.099 1.00 0.93 C ATOM 1096 CG GLU A 70 6.873 10.725 14.571 1.00 1.70 C ATOM 1097 CD GLU A 70 5.685 11.040 15.472 1.00 2.19 C ATOM 1098 OE1 GLU A 70 4.945 11.989 15.123 1.00 3.12 O ATOM 1099 OE2 GLU A 70 5.486 10.298 16.454 1.00 3.09 O ATOM 0 H GLU A 70 7.625 12.813 12.759 1.00 0.89 H new ATOM 0 HA GLU A 70 8.432 10.090 12.417 1.00 0.84 H new ATOM 0 HB2 GLU A 70 5.773 11.520 12.904 1.00 0.93 H new ATOM 0 HB3 GLU A 70 5.938 9.775 12.885 1.00 0.93 H new ATOM 0 HG2 GLU A 70 7.295 9.759 14.848 1.00 1.70 H new ATOM 0 HG3 GLU A 70 7.654 11.470 14.723 1.00 1.70 H new ATOM 1106 N LEU A 71 6.825 9.367 10.458 1.00 0.93 N ATOM 1107 CA LEU A 71 5.792 9.033 9.486 1.00 0.89 C ATOM 1108 C LEU A 71 4.619 8.412 10.244 1.00 0.88 C ATOM 1109 O LEU A 71 4.722 8.135 11.437 1.00 1.00 O ATOM 1110 CB LEU A 71 6.341 8.062 8.433 1.00 1.12 C ATOM 1111 CG LEU A 71 7.351 8.700 7.474 1.00 1.55 C ATOM 1112 CD1 LEU A 71 7.973 7.582 6.637 1.00 2.03 C ATOM 1113 CD2 LEU A 71 6.697 9.711 6.527 1.00 2.87 C ATOM 0 H LEU A 71 7.251 8.553 10.902 1.00 0.93 H new ATOM 0 HA LEU A 71 5.461 9.928 8.959 1.00 0.89 H new ATOM 0 HB2 LEU A 71 6.815 7.221 8.939 1.00 1.12 H new ATOM 0 HB3 LEU A 71 5.510 7.658 7.855 1.00 1.12 H new ATOM 0 HG LEU A 71 8.095 9.234 8.065 1.00 1.55 H new ATOM 0 HD11 LEU A 71 8.698 8.007 5.943 1.00 2.03 H new ATOM 0 HD12 LEU A 71 8.474 6.871 7.294 1.00 2.03 H new ATOM 0 HD13 LEU A 71 7.191 7.070 6.076 1.00 2.03 H new ATOM 0 HD21 LEU A 71 7.455 10.135 5.868 1.00 2.87 H new ATOM 0 HD22 LEU A 71 5.935 9.210 5.930 1.00 2.87 H new ATOM 0 HD23 LEU A 71 6.235 10.509 7.109 1.00 2.87 H new ATOM 1125 N LYS A 72 3.511 8.163 9.548 1.00 0.87 N ATOM 1126 CA LYS A 72 2.427 7.318 10.022 1.00 1.05 C ATOM 1127 C LYS A 72 1.976 6.469 8.839 1.00 0.93 C ATOM 1128 O LYS A 72 2.215 6.854 7.694 1.00 0.70 O ATOM 1129 CB LYS A 72 1.263 8.151 10.584 1.00 1.29 C ATOM 1130 CG LYS A 72 1.575 8.763 11.958 1.00 1.67 C ATOM 1131 CD LYS A 72 2.088 10.208 11.872 1.00 1.88 C ATOM 1132 CE LYS A 72 2.667 10.618 13.233 1.00 2.68 C ATOM 1133 NZ LYS A 72 3.153 12.012 13.250 1.00 3.11 N ATOM 0 H LYS A 72 3.343 8.553 8.621 1.00 0.87 H new ATOM 0 HA LYS A 72 2.769 6.687 10.843 1.00 1.05 H new ATOM 0 HB2 LYS A 72 1.022 8.950 9.882 1.00 1.29 H new ATOM 0 HB3 LYS A 72 0.378 7.520 10.665 1.00 1.29 H new ATOM 0 HG2 LYS A 72 0.675 8.739 12.572 1.00 1.67 H new ATOM 0 HG3 LYS A 72 2.321 8.148 12.462 1.00 1.67 H new ATOM 0 HD2 LYS A 72 2.852 10.290 11.098 1.00 1.88 H new ATOM 0 HD3 LYS A 72 1.276 10.879 11.591 1.00 1.88 H new ATOM 0 HE2 LYS A 72 1.903 10.495 14.000 1.00 2.68 H new ATOM 0 HE3 LYS A 72 3.488 9.948 13.490 1.00 2.68 H new ATOM 0 HZ1 LYS A 72 3.639 12.199 14.150 1.00 3.11 H new ATOM 0 HZ2 LYS A 72 3.815 12.158 12.462 1.00 3.11 H new ATOM 0 HZ3 LYS A 72 2.347 12.662 13.150 1.00 3.11 H new ATOM 1147 N PHE A 73 1.366 5.316 9.113 1.00 1.23 N ATOM 1148 CA PHE A 73 0.964 4.312 8.133 1.00 1.18 C ATOM 1149 C PHE A 73 0.376 4.900 6.845 1.00 0.95 C ATOM 1150 O PHE A 73 0.765 4.504 5.751 1.00 0.75 O ATOM 1151 CB PHE A 73 0.016 3.295 8.781 1.00 1.57 C ATOM 1152 CG PHE A 73 -1.370 3.817 9.124 1.00 1.20 C ATOM 1153 CD1 PHE A 73 -1.550 4.758 10.157 1.00 1.95 C ATOM 1154 CD2 PHE A 73 -2.481 3.404 8.363 1.00 2.35 C ATOM 1155 CE1 PHE A 73 -2.830 5.258 10.446 1.00 2.30 C ATOM 1156 CE2 PHE A 73 -3.765 3.892 8.663 1.00 2.87 C ATOM 1157 CZ PHE A 73 -3.940 4.816 9.708 1.00 2.37 C ATOM 0 H PHE A 73 1.129 5.046 10.068 1.00 1.23 H new ATOM 0 HA PHE A 73 1.873 3.801 7.815 1.00 1.18 H new ATOM 0 HB2 PHE A 73 -0.092 2.445 8.108 1.00 1.57 H new ATOM 0 HB3 PHE A 73 0.481 2.922 9.694 1.00 1.57 H new ATOM 0 HD1 PHE A 73 -0.699 5.097 10.730 1.00 1.95 H new ATOM 0 HD2 PHE A 73 -2.346 2.710 7.546 1.00 2.35 H new ATOM 0 HE1 PHE A 73 -2.961 5.983 11.236 1.00 2.30 H new ATOM 0 HE2 PHE A 73 -4.617 3.557 8.090 1.00 2.87 H new ATOM 0 HZ PHE A 73 -4.927 5.186 9.943 1.00 2.37 H new ATOM 1167 N ASN A 74 -0.551 5.852 6.959 1.00 1.11 N ATOM 1168 CA ASN A 74 -1.142 6.522 5.803 1.00 1.13 C ATOM 1169 C ASN A 74 -0.078 7.162 4.904 1.00 0.93 C ATOM 1170 O ASN A 74 -0.146 7.065 3.680 1.00 0.93 O ATOM 1171 CB ASN A 74 -2.111 7.605 6.278 1.00 1.42 C ATOM 1172 CG ASN A 74 -2.618 8.412 5.089 1.00 1.87 C ATOM 1173 OD1 ASN A 74 -2.178 9.535 4.854 1.00 2.30 O ATOM 1174 ND2 ASN A 74 -3.519 7.838 4.307 1.00 3.42 N ATOM 0 H ASN A 74 -0.912 6.179 7.855 1.00 1.11 H new ATOM 0 HA ASN A 74 -1.668 5.767 5.219 1.00 1.13 H new ATOM 0 HB2 ASN A 74 -2.951 7.148 6.802 1.00 1.42 H new ATOM 0 HB3 ASN A 74 -1.612 8.264 6.989 1.00 1.42 H new ATOM 0 HD21 ASN A 74 -3.867 8.329 3.483 1.00 3.42 H new ATOM 0 HD22 ASN A 74 -3.865 6.904 4.528 1.00 3.42 H new ATOM 1181 N GLU A 75 0.874 7.858 5.525 1.00 0.87 N ATOM 1182 CA GLU A 75 1.938 8.579 4.849 1.00 0.79 C ATOM 1183 C GLU A 75 2.900 7.560 4.239 1.00 0.57 C ATOM 1184 O GLU A 75 3.229 7.620 3.055 1.00 0.61 O ATOM 1185 CB GLU A 75 2.628 9.495 5.876 1.00 0.96 C ATOM 1186 CG GLU A 75 3.205 10.785 5.271 1.00 1.32 C ATOM 1187 CD GLU A 75 2.514 12.011 5.853 1.00 2.09 C ATOM 1188 OE1 GLU A 75 2.757 12.286 7.045 1.00 3.22 O ATOM 1189 OE2 GLU A 75 1.704 12.609 5.107 1.00 2.71 O ATOM 0 H GLU A 75 0.922 7.934 6.541 1.00 0.87 H new ATOM 0 HA GLU A 75 1.558 9.205 4.041 1.00 0.79 H new ATOM 0 HB2 GLU A 75 1.910 9.759 6.653 1.00 0.96 H new ATOM 0 HB3 GLU A 75 3.432 8.941 6.360 1.00 0.96 H new ATOM 0 HG2 GLU A 75 4.276 10.837 5.468 1.00 1.32 H new ATOM 0 HG3 GLU A 75 3.081 10.772 4.188 1.00 1.32 H new ATOM 1196 N TYR A 76 3.302 6.596 5.072 1.00 0.49 N ATOM 1197 CA TYR A 76 4.118 5.448 4.709 1.00 0.45 C ATOM 1198 C TYR A 76 3.603 4.844 3.403 1.00 0.42 C ATOM 1199 O TYR A 76 4.378 4.682 2.461 1.00 0.42 O ATOM 1200 CB TYR A 76 4.059 4.441 5.866 1.00 0.56 C ATOM 1201 CG TYR A 76 5.111 3.355 5.900 1.00 1.17 C ATOM 1202 CD1 TYR A 76 4.915 2.162 5.180 1.00 1.56 C ATOM 1203 CD2 TYR A 76 6.086 3.399 6.911 1.00 2.96 C ATOM 1204 CE1 TYR A 76 5.659 1.014 5.508 1.00 1.75 C ATOM 1205 CE2 TYR A 76 6.762 2.230 7.299 1.00 3.59 C ATOM 1206 CZ TYR A 76 6.550 1.036 6.593 1.00 2.50 C ATOM 1207 OH TYR A 76 7.217 -0.095 6.953 1.00 3.21 O ATOM 0 H TYR A 76 3.053 6.601 6.061 1.00 0.49 H new ATOM 0 HA TYR A 76 5.156 5.738 4.544 1.00 0.45 H new ATOM 0 HB2 TYR A 76 4.121 4.998 6.801 1.00 0.56 H new ATOM 0 HB3 TYR A 76 3.081 3.961 5.845 1.00 0.56 H new ATOM 0 HD1 TYR A 76 4.194 2.128 4.376 1.00 1.56 H new ATOM 0 HD2 TYR A 76 6.317 4.337 7.393 1.00 2.96 H new ATOM 0 HE1 TYR A 76 5.545 0.113 4.924 1.00 1.75 H new ATOM 0 HE2 TYR A 76 7.442 2.250 8.138 1.00 3.59 H new ATOM 0 HH TYR A 76 7.793 0.096 7.722 1.00 3.21 H new ATOM 1217 N TRP A 77 2.295 4.548 3.355 1.00 0.50 N ATOM 1218 CA TRP A 77 1.611 3.978 2.209 1.00 0.50 C ATOM 1219 C TRP A 77 2.100 4.610 0.899 1.00 0.47 C ATOM 1220 O TRP A 77 2.876 3.987 0.178 1.00 0.48 O ATOM 1221 CB TRP A 77 0.091 4.069 2.407 1.00 0.57 C ATOM 1222 CG TRP A 77 -0.590 2.829 1.989 1.00 0.56 C ATOM 1223 CD1 TRP A 77 -0.929 2.580 0.718 1.00 0.53 C ATOM 1224 CD2 TRP A 77 -1.135 1.733 2.781 1.00 0.56 C ATOM 1225 NE1 TRP A 77 -1.526 1.356 0.631 1.00 0.51 N ATOM 1226 CE2 TRP A 77 -1.753 0.825 1.878 1.00 0.53 C ATOM 1227 CE3 TRP A 77 -1.293 1.470 4.158 1.00 0.58 C ATOM 1228 CZ2 TRP A 77 -2.473 -0.287 2.310 1.00 0.53 C ATOM 1229 CZ3 TRP A 77 -2.046 0.359 4.587 1.00 0.57 C ATOM 1230 CH2 TRP A 77 -2.580 -0.550 3.676 1.00 0.57 C ATOM 0 H TRP A 77 1.672 4.709 4.147 1.00 0.50 H new ATOM 0 HA TRP A 77 1.856 2.919 2.129 1.00 0.50 H new ATOM 0 HB2 TRP A 77 -0.128 4.268 3.456 1.00 0.57 H new ATOM 0 HB3 TRP A 77 -0.301 4.910 1.834 1.00 0.57 H new ATOM 0 HD1 TRP A 77 -0.756 3.247 -0.113 1.00 0.53 H new ATOM 0 HE1 TRP A 77 -1.772 0.895 -0.245 1.00 0.51 H new ATOM 0 HE3 TRP A 77 -0.835 2.123 4.886 1.00 0.58 H new ATOM 0 HZ2 TRP A 77 -2.945 -0.941 1.592 1.00 0.53 H new ATOM 0 HZ3 TRP A 77 -2.213 0.209 5.643 1.00 0.57 H new ATOM 0 HH2 TRP A 77 -3.071 -1.447 4.023 1.00 0.57 H new ATOM 1241 N ARG A 78 1.692 5.850 0.605 1.00 0.49 N ATOM 1242 CA ARG A 78 2.115 6.615 -0.565 1.00 0.51 C ATOM 1243 C ARG A 78 3.599 6.367 -0.919 1.00 0.49 C ATOM 1244 O ARG A 78 3.898 6.027 -2.063 1.00 0.56 O ATOM 1245 CB ARG A 78 1.924 8.121 -0.283 1.00 0.72 C ATOM 1246 CG ARG A 78 0.747 8.477 0.642 1.00 1.42 C ATOM 1247 CD ARG A 78 0.562 9.995 0.714 1.00 1.76 C ATOM 1248 NE ARG A 78 -0.176 10.379 1.933 1.00 3.20 N ATOM 1249 CZ ARG A 78 0.252 11.263 2.851 1.00 3.86 C ATOM 1250 NH1 ARG A 78 1.277 12.082 2.604 1.00 3.79 N ATOM 1251 NH2 ARG A 78 -0.309 11.325 4.057 1.00 5.39 N ATOM 0 H ARG A 78 1.037 6.362 1.196 1.00 0.49 H new ATOM 0 HA ARG A 78 1.505 6.290 -1.408 1.00 0.51 H new ATOM 0 HB2 ARG A 78 2.841 8.509 0.159 1.00 0.72 H new ATOM 0 HB3 ARG A 78 1.785 8.636 -1.233 1.00 0.72 H new ATOM 0 HG2 ARG A 78 -0.167 8.010 0.274 1.00 1.42 H new ATOM 0 HG3 ARG A 78 0.928 8.079 1.640 1.00 1.42 H new ATOM 0 HD2 ARG A 78 1.536 10.485 0.704 1.00 1.76 H new ATOM 0 HD3 ARG A 78 0.022 10.342 -0.167 1.00 1.76 H new ATOM 0 HE ARG A 78 -1.082 9.939 2.092 1.00 3.20 H new ATOM 0 HH11 ARG A 78 1.753 12.045 1.703 1.00 3.79 H new ATOM 0 HH12 ARG A 78 1.584 12.744 3.316 1.00 3.79 H new ATOM 0 HH21 ARG A 78 -1.075 10.696 4.296 1.00 5.39 H new ATOM 0 HH22 ARG A 78 0.028 12.002 4.742 1.00 5.39 H new ATOM 1265 N LEU A 79 4.524 6.494 0.047 1.00 0.46 N ATOM 1266 CA LEU A 79 5.957 6.356 -0.234 1.00 0.49 C ATOM 1267 C LEU A 79 6.319 4.923 -0.626 1.00 0.45 C ATOM 1268 O LEU A 79 7.133 4.730 -1.528 1.00 0.51 O ATOM 1269 CB LEU A 79 6.852 6.841 0.921 1.00 0.65 C ATOM 1270 CG LEU A 79 6.992 8.373 1.001 1.00 0.79 C ATOM 1271 CD1 LEU A 79 5.668 9.145 0.988 1.00 0.80 C ATOM 1272 CD2 LEU A 79 7.747 8.742 2.281 1.00 1.11 C ATOM 0 H LEU A 79 4.304 6.691 1.023 1.00 0.46 H new ATOM 0 HA LEU A 79 6.154 7.010 -1.083 1.00 0.49 H new ATOM 0 HB2 LEU A 79 6.444 6.474 1.863 1.00 0.65 H new ATOM 0 HB3 LEU A 79 7.843 6.401 0.809 1.00 0.65 H new ATOM 0 HG LEU A 79 7.529 8.664 0.098 1.00 0.79 H new ATOM 0 HD11 LEU A 79 5.870 10.214 1.048 1.00 0.80 H new ATOM 0 HD12 LEU A 79 5.130 8.928 0.065 1.00 0.80 H new ATOM 0 HD13 LEU A 79 5.062 8.842 1.842 1.00 0.80 H new ATOM 0 HD21 LEU A 79 7.849 9.825 2.344 1.00 1.11 H new ATOM 0 HD22 LEU A 79 7.194 8.379 3.147 1.00 1.11 H new ATOM 0 HD23 LEU A 79 8.736 8.284 2.265 1.00 1.11 H new ATOM 1284 N ILE A 80 5.742 3.895 0.007 1.00 0.42 N ATOM 1285 CA ILE A 80 5.985 2.543 -0.501 1.00 0.43 C ATOM 1286 C ILE A 80 5.330 2.372 -1.884 1.00 0.44 C ATOM 1287 O ILE A 80 5.806 1.608 -2.721 1.00 0.49 O ATOM 1288 CB ILE A 80 5.706 1.410 0.509 1.00 0.46 C ATOM 1289 CG1 ILE A 80 4.241 0.989 0.512 1.00 0.58 C ATOM 1290 CG2 ILE A 80 6.142 1.803 1.915 1.00 0.46 C ATOM 1291 CD1 ILE A 80 3.881 -0.244 1.338 1.00 0.63 C ATOM 0 H ILE A 80 5.137 3.964 0.825 1.00 0.42 H new ATOM 0 HA ILE A 80 7.060 2.435 -0.645 1.00 0.43 H new ATOM 0 HB ILE A 80 6.297 0.553 0.186 1.00 0.46 H new ATOM 0 HG12 ILE A 80 3.647 1.827 0.876 1.00 0.58 H new ATOM 0 HG13 ILE A 80 3.937 0.808 -0.519 1.00 0.58 H new ATOM 0 HG21 ILE A 80 5.932 0.984 2.603 1.00 0.46 H new ATOM 0 HG22 ILE A 80 7.211 2.015 1.918 1.00 0.46 H new ATOM 0 HG23 ILE A 80 5.595 2.691 2.231 1.00 0.46 H new ATOM 0 HD11 ILE A 80 2.811 -0.437 1.257 1.00 0.63 H new ATOM 0 HD12 ILE A 80 4.435 -1.106 0.965 1.00 0.63 H new ATOM 0 HD13 ILE A 80 4.140 -0.070 2.383 1.00 0.63 H new ATOM 1303 N GLY A 81 4.254 3.121 -2.140 1.00 0.42 N ATOM 1304 CA GLY A 81 3.673 3.262 -3.464 1.00 0.43 C ATOM 1305 C GLY A 81 4.703 3.763 -4.472 1.00 0.42 C ATOM 1306 O GLY A 81 4.848 3.194 -5.552 1.00 0.50 O ATOM 0 H GLY A 81 3.761 3.650 -1.420 1.00 0.42 H new ATOM 0 HA2 GLY A 81 3.276 2.302 -3.793 1.00 0.43 H new ATOM 0 HA3 GLY A 81 2.834 3.956 -3.423 1.00 0.43 H new ATOM 1310 N GLU A 82 5.427 4.826 -4.117 1.00 0.40 N ATOM 1311 CA GLU A 82 6.564 5.282 -4.900 1.00 0.43 C ATOM 1312 C GLU A 82 7.569 4.132 -5.063 1.00 0.46 C ATOM 1313 O GLU A 82 7.933 3.808 -6.195 1.00 0.56 O ATOM 1314 CB GLU A 82 7.177 6.549 -4.293 1.00 0.47 C ATOM 1315 CG GLU A 82 6.182 7.717 -4.303 1.00 0.70 C ATOM 1316 CD GLU A 82 6.761 8.929 -3.588 1.00 1.65 C ATOM 1317 OE1 GLU A 82 7.582 9.623 -4.220 1.00 2.59 O ATOM 1318 OE2 GLU A 82 6.395 9.120 -2.408 1.00 2.59 O ATOM 0 H GLU A 82 5.240 5.387 -3.286 1.00 0.40 H new ATOM 0 HA GLU A 82 6.236 5.567 -5.900 1.00 0.43 H new ATOM 0 HB2 GLU A 82 7.492 6.347 -3.269 1.00 0.47 H new ATOM 0 HB3 GLU A 82 8.070 6.826 -4.853 1.00 0.47 H new ATOM 0 HG2 GLU A 82 5.934 7.980 -5.331 1.00 0.70 H new ATOM 0 HG3 GLU A 82 5.254 7.413 -3.819 1.00 0.70 H new ATOM 1325 N LEU A 83 7.961 3.469 -3.966 1.00 0.42 N ATOM 1326 CA LEU A 83 8.867 2.320 -4.042 1.00 0.49 C ATOM 1327 C LEU A 83 8.447 1.319 -5.115 1.00 0.50 C ATOM 1328 O LEU A 83 9.271 0.960 -5.958 1.00 0.53 O ATOM 1329 CB LEU A 83 9.122 1.638 -2.693 1.00 0.59 C ATOM 1330 CG LEU A 83 10.185 2.398 -1.884 1.00 1.42 C ATOM 1331 CD1 LEU A 83 10.050 2.106 -0.390 1.00 2.95 C ATOM 1332 CD2 LEU A 83 11.602 1.986 -2.316 1.00 2.11 C ATOM 0 H LEU A 83 7.665 3.709 -3.020 1.00 0.42 H new ATOM 0 HA LEU A 83 9.827 2.738 -4.344 1.00 0.49 H new ATOM 0 HB2 LEU A 83 8.193 1.590 -2.125 1.00 0.59 H new ATOM 0 HB3 LEU A 83 9.450 0.611 -2.857 1.00 0.59 H new ATOM 0 HG LEU A 83 10.027 3.460 -2.074 1.00 1.42 H new ATOM 0 HD11 LEU A 83 10.814 2.656 0.159 1.00 2.95 H new ATOM 0 HD12 LEU A 83 9.063 2.415 -0.047 1.00 2.95 H new ATOM 0 HD13 LEU A 83 10.176 1.038 -0.215 1.00 2.95 H new ATOM 0 HD21 LEU A 83 12.336 2.538 -1.729 1.00 2.11 H new ATOM 0 HD22 LEU A 83 11.736 0.917 -2.152 1.00 2.11 H new ATOM 0 HD23 LEU A 83 11.740 2.211 -3.374 1.00 2.11 H new ATOM 1344 N ALA A 84 7.178 0.894 -5.119 1.00 0.52 N ATOM 1345 CA ALA A 84 6.672 -0.003 -6.152 1.00 0.60 C ATOM 1346 C ALA A 84 7.062 0.413 -7.583 1.00 0.67 C ATOM 1347 O ALA A 84 7.377 -0.463 -8.388 1.00 0.83 O ATOM 1348 CB ALA A 84 5.156 -0.164 -6.010 1.00 0.60 C ATOM 0 H ALA A 84 6.487 1.159 -4.417 1.00 0.52 H new ATOM 0 HA ALA A 84 7.154 -0.968 -5.994 1.00 0.60 H new ATOM 0 HB1 ALA A 84 4.787 -0.835 -6.785 1.00 0.60 H new ATOM 0 HB2 ALA A 84 4.925 -0.580 -5.030 1.00 0.60 H new ATOM 0 HB3 ALA A 84 4.675 0.809 -6.114 1.00 0.60 H new ATOM 1354 N LYS A 85 7.033 1.713 -7.925 1.00 0.66 N ATOM 1355 CA LYS A 85 7.479 2.164 -9.247 1.00 0.87 C ATOM 1356 C LYS A 85 9.000 2.305 -9.341 1.00 0.81 C ATOM 1357 O LYS A 85 9.582 1.925 -10.353 1.00 1.07 O ATOM 1358 CB LYS A 85 6.743 3.423 -9.735 1.00 1.18 C ATOM 1359 CG LYS A 85 6.897 4.670 -8.854 1.00 1.49 C ATOM 1360 CD LYS A 85 6.455 5.948 -9.583 1.00 1.31 C ATOM 1361 CE LYS A 85 5.022 5.785 -10.092 1.00 2.59 C ATOM 1362 NZ LYS A 85 4.349 7.070 -10.383 1.00 3.78 N ATOM 0 H LYS A 85 6.709 2.459 -7.310 1.00 0.66 H new ATOM 0 HA LYS A 85 7.200 1.368 -9.937 1.00 0.87 H new ATOM 0 HB2 LYS A 85 7.098 3.663 -10.737 1.00 1.18 H new ATOM 0 HB3 LYS A 85 5.682 3.190 -9.820 1.00 1.18 H new ATOM 0 HG2 LYS A 85 6.306 4.548 -7.946 1.00 1.49 H new ATOM 0 HG3 LYS A 85 7.938 4.770 -8.546 1.00 1.49 H new ATOM 0 HD2 LYS A 85 6.516 6.802 -8.908 1.00 1.31 H new ATOM 0 HD3 LYS A 85 7.126 6.152 -10.417 1.00 1.31 H new ATOM 0 HE2 LYS A 85 5.033 5.177 -10.997 1.00 2.59 H new ATOM 0 HE3 LYS A 85 4.441 5.240 -9.348 1.00 2.59 H new ATOM 0 HZ1 LYS A 85 3.319 6.928 -10.391 1.00 3.78 H new ATOM 0 HZ2 LYS A 85 4.597 7.765 -9.650 1.00 3.78 H new ATOM 0 HZ3 LYS A 85 4.658 7.421 -11.312 1.00 3.78 H new ATOM 1376 N GLU A 86 9.636 2.877 -8.315 1.00 0.58 N ATOM 1377 CA GLU A 86 11.081 3.044 -8.220 1.00 0.62 C ATOM 1378 C GLU A 86 11.794 1.715 -8.494 1.00 0.82 C ATOM 1379 O GLU A 86 12.455 1.564 -9.523 1.00 1.03 O ATOM 1380 CB GLU A 86 11.391 3.543 -6.812 1.00 0.66 C ATOM 1381 CG GLU A 86 11.051 5.021 -6.560 1.00 1.00 C ATOM 1382 CD GLU A 86 11.236 5.377 -5.096 1.00 1.20 C ATOM 1383 OE1 GLU A 86 11.416 4.455 -4.274 1.00 2.04 O ATOM 1384 OE2 GLU A 86 11.238 6.578 -4.759 1.00 2.01 O ATOM 0 H GLU A 86 9.140 3.247 -7.504 1.00 0.58 H new ATOM 0 HA GLU A 86 11.434 3.760 -8.962 1.00 0.62 H new ATOM 0 HB2 GLU A 86 10.841 2.932 -6.096 1.00 0.66 H new ATOM 0 HB3 GLU A 86 12.452 3.390 -6.613 1.00 0.66 H new ATOM 0 HG2 GLU A 86 11.689 5.655 -7.176 1.00 1.00 H new ATOM 0 HG3 GLU A 86 10.021 5.218 -6.859 1.00 1.00 H new ATOM 1391 N ILE A 87 11.684 0.747 -7.580 1.00 0.86 N ATOM 1392 CA ILE A 87 12.327 -0.545 -7.705 1.00 1.13 C ATOM 1393 C ILE A 87 11.459 -1.420 -8.615 1.00 1.18 C ATOM 1394 O ILE A 87 10.540 -2.115 -8.189 1.00 1.14 O ATOM 1395 CB ILE A 87 12.694 -1.110 -6.312 1.00 1.29 C ATOM 1396 CG1 ILE A 87 13.718 -2.256 -6.357 1.00 1.72 C ATOM 1397 CG2 ILE A 87 11.529 -1.474 -5.383 1.00 1.38 C ATOM 1398 CD1 ILE A 87 13.242 -3.510 -7.089 1.00 1.69 C ATOM 0 H ILE A 87 11.137 0.849 -6.725 1.00 0.86 H new ATOM 0 HA ILE A 87 13.298 -0.489 -8.198 1.00 1.13 H new ATOM 0 HB ILE A 87 13.161 -0.238 -5.855 1.00 1.29 H new ATOM 0 HG12 ILE A 87 14.627 -1.894 -6.838 1.00 1.72 H new ATOM 0 HG13 ILE A 87 13.984 -2.527 -5.335 1.00 1.72 H new ATOM 0 HG21 ILE A 87 11.921 -1.857 -4.441 1.00 1.38 H new ATOM 0 HG22 ILE A 87 10.926 -0.587 -5.191 1.00 1.38 H new ATOM 0 HG23 ILE A 87 10.911 -2.237 -5.856 1.00 1.38 H new ATOM 0 HD11 ILE A 87 14.029 -4.263 -7.070 1.00 1.69 H new ATOM 0 HD12 ILE A 87 12.352 -3.903 -6.597 1.00 1.69 H new ATOM 0 HD13 ILE A 87 13.005 -3.260 -8.123 1.00 1.69 H new ATOM 1410 N ARG A 88 11.785 -1.406 -9.909 1.00 1.36 N ATOM 1411 CA ARG A 88 10.977 -2.073 -10.914 1.00 1.47 C ATOM 1412 C ARG A 88 11.309 -3.564 -10.888 1.00 1.54 C ATOM 1413 O ARG A 88 12.145 -4.041 -11.652 1.00 1.83 O ATOM 1414 CB ARG A 88 11.258 -1.471 -12.303 1.00 1.75 C ATOM 1415 CG ARG A 88 10.688 -0.052 -12.422 1.00 2.37 C ATOM 1416 CD ARG A 88 10.806 0.501 -13.849 1.00 2.38 C ATOM 1417 NE ARG A 88 12.157 1.020 -14.126 1.00 4.08 N ATOM 1418 CZ ARG A 88 12.628 1.347 -15.342 1.00 4.67 C ATOM 1419 NH1 ARG A 88 11.894 1.106 -16.435 1.00 3.75 N ATOM 1420 NH2 ARG A 88 13.831 1.920 -15.463 1.00 6.52 N ATOM 0 H ARG A 88 12.610 -0.935 -10.280 1.00 1.36 H new ATOM 0 HA ARG A 88 9.917 -1.934 -10.700 1.00 1.47 H new ATOM 0 HB2 ARG A 88 12.333 -1.449 -12.481 1.00 1.75 H new ATOM 0 HB3 ARG A 88 10.820 -2.107 -13.072 1.00 1.75 H new ATOM 0 HG2 ARG A 88 9.640 -0.056 -12.121 1.00 2.37 H new ATOM 0 HG3 ARG A 88 11.215 0.609 -11.733 1.00 2.37 H new ATOM 0 HD2 ARG A 88 10.565 -0.285 -14.564 1.00 2.38 H new ATOM 0 HD3 ARG A 88 10.075 1.297 -13.992 1.00 2.38 H new ATOM 0 HE ARG A 88 12.785 1.141 -13.332 1.00 4.08 H new ATOM 0 HH11 ARG A 88 10.975 0.673 -16.347 1.00 3.75 H new ATOM 0 HH12 ARG A 88 12.254 1.355 -17.356 1.00 3.75 H new ATOM 0 HH21 ARG A 88 14.392 2.109 -14.632 1.00 6.52 H new ATOM 0 HH22 ARG A 88 14.187 2.168 -16.386 1.00 6.52 H new ATOM 1434 N LYS A 89 10.625 -4.302 -10.008 1.00 1.37 N ATOM 1435 CA LYS A 89 10.762 -5.749 -9.884 1.00 1.43 C ATOM 1436 C LYS A 89 10.089 -6.541 -11.023 1.00 1.52 C ATOM 1437 O LYS A 89 10.181 -7.767 -11.059 1.00 2.95 O ATOM 1438 CB LYS A 89 10.324 -6.223 -8.491 1.00 1.95 C ATOM 1439 CG LYS A 89 8.869 -5.913 -8.091 1.00 0.93 C ATOM 1440 CD LYS A 89 8.710 -4.578 -7.340 1.00 1.54 C ATOM 1441 CE LYS A 89 7.906 -4.700 -6.039 1.00 1.63 C ATOM 1442 NZ LYS A 89 8.487 -5.649 -5.068 1.00 2.80 N ATOM 0 H LYS A 89 9.952 -3.901 -9.354 1.00 1.37 H new ATOM 0 HA LYS A 89 11.824 -5.970 -9.993 1.00 1.43 H new ATOM 0 HB2 LYS A 89 10.472 -7.301 -8.434 1.00 1.95 H new ATOM 0 HB3 LYS A 89 10.986 -5.771 -7.752 1.00 1.95 H new ATOM 0 HG2 LYS A 89 8.250 -5.892 -8.988 1.00 0.93 H new ATOM 0 HG3 LYS A 89 8.493 -6.721 -7.463 1.00 0.93 H new ATOM 0 HD2 LYS A 89 9.698 -4.179 -7.111 1.00 1.54 H new ATOM 0 HD3 LYS A 89 8.219 -3.858 -7.995 1.00 1.54 H new ATOM 0 HE2 LYS A 89 7.833 -3.717 -5.574 1.00 1.63 H new ATOM 0 HE3 LYS A 89 6.890 -5.015 -6.278 1.00 1.63 H new ATOM 0 HZ1 LYS A 89 7.996 -5.557 -4.156 1.00 2.80 H new ATOM 0 HZ2 LYS A 89 8.378 -6.620 -5.424 1.00 2.80 H new ATOM 0 HZ3 LYS A 89 9.497 -5.439 -4.939 1.00 2.80 H new ATOM 1456 N LYS A 90 9.453 -5.858 -11.983 1.00 1.97 N ATOM 1457 CA LYS A 90 8.993 -6.400 -13.262 1.00 2.38 C ATOM 1458 C LYS A 90 7.805 -7.364 -13.113 1.00 2.56 C ATOM 1459 O LYS A 90 6.688 -7.030 -13.502 1.00 3.61 O ATOM 1460 CB LYS A 90 10.137 -7.067 -14.058 1.00 2.68 C ATOM 1461 CG LYS A 90 11.399 -6.204 -14.241 1.00 3.73 C ATOM 1462 CD LYS A 90 12.694 -7.034 -14.159 1.00 4.48 C ATOM 1463 CE LYS A 90 12.979 -7.505 -12.718 1.00 5.94 C ATOM 1464 NZ LYS A 90 14.226 -8.284 -12.584 1.00 7.07 N ATOM 0 H LYS A 90 9.236 -4.866 -11.882 1.00 1.97 H new ATOM 0 HA LYS A 90 8.641 -5.540 -13.831 1.00 2.38 H new ATOM 0 HB2 LYS A 90 10.418 -7.991 -13.553 1.00 2.68 H new ATOM 0 HB3 LYS A 90 9.760 -7.344 -15.042 1.00 2.68 H new ATOM 0 HG2 LYS A 90 11.354 -5.700 -15.206 1.00 3.73 H new ATOM 0 HG3 LYS A 90 11.419 -5.428 -13.476 1.00 3.73 H new ATOM 0 HD2 LYS A 90 12.613 -7.900 -14.816 1.00 4.48 H new ATOM 0 HD3 LYS A 90 13.532 -6.438 -14.519 1.00 4.48 H new ATOM 0 HE2 LYS A 90 13.033 -6.634 -12.065 1.00 5.94 H new ATOM 0 HE3 LYS A 90 12.143 -8.112 -12.372 1.00 5.94 H new ATOM 0 HZ1 LYS A 90 14.354 -8.567 -11.591 1.00 7.07 H new ATOM 0 HZ2 LYS A 90 14.171 -9.133 -13.182 1.00 7.07 H new ATOM 0 HZ3 LYS A 90 15.033 -7.701 -12.884 1.00 7.07 H new ATOM 1478 N LYS A 91 8.072 -8.576 -12.619 1.00 1.99 N ATOM 1479 CA LYS A 91 7.169 -9.724 -12.644 1.00 2.36 C ATOM 1480 C LYS A 91 7.767 -10.895 -11.856 1.00 2.09 C ATOM 1481 O LYS A 91 7.072 -11.540 -11.076 1.00 2.54 O ATOM 1482 CB LYS A 91 6.823 -10.142 -14.091 1.00 3.10 C ATOM 1483 CG LYS A 91 8.046 -10.300 -15.011 1.00 3.17 C ATOM 1484 CD LYS A 91 7.690 -10.733 -16.440 1.00 3.93 C ATOM 1485 CE LYS A 91 7.072 -12.136 -16.575 1.00 4.20 C ATOM 1486 NZ LYS A 91 7.905 -13.207 -15.986 1.00 4.57 N ATOM 0 H LYS A 91 8.963 -8.791 -12.172 1.00 1.99 H new ATOM 0 HA LYS A 91 6.237 -9.429 -12.162 1.00 2.36 H new ATOM 0 HB2 LYS A 91 6.278 -11.086 -14.064 1.00 3.10 H new ATOM 0 HB3 LYS A 91 6.152 -9.399 -14.522 1.00 3.10 H new ATOM 0 HG2 LYS A 91 8.584 -9.353 -15.051 1.00 3.17 H new ATOM 0 HG3 LYS A 91 8.724 -11.034 -14.576 1.00 3.17 H new ATOM 0 HD2 LYS A 91 6.993 -10.007 -16.858 1.00 3.93 H new ATOM 0 HD3 LYS A 91 8.594 -10.693 -17.048 1.00 3.93 H new ATOM 0 HE2 LYS A 91 6.094 -12.141 -16.094 1.00 4.20 H new ATOM 0 HE3 LYS A 91 6.909 -12.353 -17.631 1.00 4.20 H new ATOM 0 HZ1 LYS A 91 7.774 -14.086 -16.527 1.00 4.57 H new ATOM 0 HZ2 LYS A 91 8.906 -12.926 -16.018 1.00 4.57 H new ATOM 0 HZ3 LYS A 91 7.621 -13.364 -14.998 1.00 4.57 H new ATOM 1500 N ASP A 92 9.064 -11.157 -12.042 1.00 1.97 N ATOM 1501 CA ASP A 92 9.750 -12.310 -11.474 1.00 2.36 C ATOM 1502 C ASP A 92 10.543 -11.833 -10.260 1.00 1.90 C ATOM 1503 O ASP A 92 11.767 -11.741 -10.299 1.00 2.30 O ATOM 1504 CB ASP A 92 10.626 -12.965 -12.554 1.00 3.29 C ATOM 1505 CG ASP A 92 9.819 -13.331 -13.787 1.00 4.24 C ATOM 1506 OD1 ASP A 92 8.686 -13.839 -13.636 1.00 4.83 O ATOM 1507 OD2 ASP A 92 10.242 -12.989 -14.915 1.00 5.18 O ATOM 0 H ASP A 92 9.673 -10.560 -12.602 1.00 1.97 H new ATOM 0 HA ASP A 92 9.051 -13.076 -11.138 1.00 2.36 H new ATOM 0 HB2 ASP A 92 11.429 -12.283 -12.834 1.00 3.29 H new ATOM 0 HB3 ASP A 92 11.096 -13.861 -12.148 1.00 3.29 H new ATOM 1512 N LEU A 93 9.824 -11.455 -9.203 1.00 1.46 N ATOM 1513 CA LEU A 93 10.411 -10.789 -8.049 1.00 1.11 C ATOM 1514 C LEU A 93 11.087 -11.774 -7.093 1.00 1.05 C ATOM 1515 O LEU A 93 12.310 -11.781 -6.980 1.00 1.22 O ATOM 1516 CB LEU A 93 9.354 -9.950 -7.292 1.00 1.51 C ATOM 1517 CG LEU A 93 7.857 -10.012 -7.690 1.00 2.18 C ATOM 1518 CD1 LEU A 93 7.561 -9.296 -9.013 1.00 3.77 C ATOM 1519 CD2 LEU A 93 7.172 -11.384 -7.556 1.00 3.27 C ATOM 0 H LEU A 93 8.818 -11.604 -9.126 1.00 1.46 H new ATOM 0 HA LEU A 93 11.182 -10.121 -8.433 1.00 1.11 H new ATOM 0 HB2 LEU A 93 9.417 -10.229 -6.240 1.00 1.51 H new ATOM 0 HB3 LEU A 93 9.662 -8.907 -7.364 1.00 1.51 H new ATOM 0 HG LEU A 93 7.364 -9.434 -6.909 1.00 2.18 H new ATOM 0 HD11 LEU A 93 6.497 -9.374 -9.239 1.00 3.77 H new ATOM 0 HD12 LEU A 93 7.838 -8.245 -8.928 1.00 3.77 H new ATOM 0 HD13 LEU A 93 8.137 -9.759 -9.814 1.00 3.77 H new ATOM 0 HD21 LEU A 93 6.129 -11.302 -7.863 1.00 3.27 H new ATOM 0 HD22 LEU A 93 7.681 -12.108 -8.192 1.00 3.27 H new ATOM 0 HD23 LEU A 93 7.220 -11.715 -6.519 1.00 3.27 H new ATOM 1531 N LYS A 94 10.328 -12.687 -6.483 1.00 1.07 N ATOM 1532 CA LYS A 94 10.879 -13.517 -5.411 1.00 1.07 C ATOM 1533 C LYS A 94 11.956 -14.469 -5.928 1.00 1.13 C ATOM 1534 O LYS A 94 12.776 -14.964 -5.161 1.00 1.26 O ATOM 1535 CB LYS A 94 9.778 -14.198 -4.583 1.00 1.27 C ATOM 1536 CG LYS A 94 8.916 -13.119 -3.909 1.00 1.55 C ATOM 1537 CD LYS A 94 8.169 -13.572 -2.652 1.00 1.81 C ATOM 1538 CE LYS A 94 7.155 -14.686 -2.929 1.00 2.22 C ATOM 1539 NZ LYS A 94 6.251 -14.862 -1.776 1.00 2.79 N ATOM 0 H LYS A 94 9.350 -12.868 -6.707 1.00 1.07 H new ATOM 0 HA LYS A 94 11.391 -12.859 -4.709 1.00 1.07 H new ATOM 0 HB2 LYS A 94 9.160 -14.827 -5.224 1.00 1.27 H new ATOM 0 HB3 LYS A 94 10.222 -14.849 -3.830 1.00 1.27 H new ATOM 0 HG2 LYS A 94 9.556 -12.276 -3.648 1.00 1.55 H new ATOM 0 HG3 LYS A 94 8.188 -12.754 -4.633 1.00 1.55 H new ATOM 0 HD2 LYS A 94 8.890 -13.920 -1.913 1.00 1.81 H new ATOM 0 HD3 LYS A 94 7.652 -12.718 -2.215 1.00 1.81 H new ATOM 0 HE2 LYS A 94 6.575 -14.444 -3.820 1.00 2.22 H new ATOM 0 HE3 LYS A 94 7.679 -15.620 -3.134 1.00 2.22 H new ATOM 0 HZ1 LYS A 94 5.734 -15.759 -1.874 1.00 2.79 H new ATOM 0 HZ2 LYS A 94 6.808 -14.878 -0.898 1.00 2.79 H new ATOM 0 HZ3 LYS A 94 5.574 -14.074 -1.742 1.00 2.79 H new ATOM 1553 N ILE A 95 11.984 -14.709 -7.244 1.00 1.17 N ATOM 1554 CA ILE A 95 13.056 -15.451 -7.877 1.00 1.33 C ATOM 1555 C ILE A 95 14.444 -14.875 -7.565 1.00 1.41 C ATOM 1556 O ILE A 95 15.432 -15.598 -7.689 1.00 1.59 O ATOM 1557 CB ILE A 95 12.793 -15.546 -9.395 1.00 1.38 C ATOM 1558 CG1 ILE A 95 13.197 -16.932 -9.918 1.00 1.82 C ATOM 1559 CG2 ILE A 95 13.518 -14.437 -10.176 1.00 1.84 C ATOM 1560 CD1 ILE A 95 12.762 -17.121 -11.371 1.00 2.02 C ATOM 0 H ILE A 95 11.262 -14.391 -7.890 1.00 1.17 H new ATOM 0 HA ILE A 95 13.063 -16.457 -7.458 1.00 1.33 H new ATOM 0 HB ILE A 95 11.724 -15.404 -9.555 1.00 1.38 H new ATOM 0 HG12 ILE A 95 14.278 -17.053 -9.840 1.00 1.82 H new ATOM 0 HG13 ILE A 95 12.744 -17.705 -9.296 1.00 1.82 H new ATOM 0 HG21 ILE A 95 13.305 -14.542 -11.240 1.00 1.84 H new ATOM 0 HG22 ILE A 95 13.171 -13.463 -9.831 1.00 1.84 H new ATOM 0 HG23 ILE A 95 14.592 -14.519 -10.011 1.00 1.84 H new ATOM 0 HD11 ILE A 95 13.061 -18.111 -11.715 1.00 2.02 H new ATOM 0 HD12 ILE A 95 11.679 -17.024 -11.442 1.00 2.02 H new ATOM 0 HD13 ILE A 95 13.235 -16.362 -11.994 1.00 2.02 H new ATOM 1572 N ARG A 96 14.541 -13.590 -7.188 1.00 1.37 N ATOM 1573 CA ARG A 96 15.758 -12.974 -6.666 1.00 1.52 C ATOM 1574 C ARG A 96 16.710 -12.623 -7.818 1.00 1.82 C ATOM 1575 O ARG A 96 17.122 -11.468 -7.969 1.00 2.42 O ATOM 1576 CB ARG A 96 16.388 -13.893 -5.596 1.00 1.80 C ATOM 1577 CG ARG A 96 16.978 -13.199 -4.363 1.00 1.84 C ATOM 1578 CD ARG A 96 18.342 -12.530 -4.523 1.00 2.71 C ATOM 1579 NE ARG A 96 18.288 -11.463 -5.520 1.00 3.76 N ATOM 1580 CZ ARG A 96 17.932 -10.182 -5.343 1.00 4.78 C ATOM 1581 NH1 ARG A 96 17.622 -9.693 -4.141 1.00 5.18 N ATOM 1582 NH2 ARG A 96 17.886 -9.421 -6.434 1.00 6.18 N ATOM 0 H ARG A 96 13.755 -12.942 -7.241 1.00 1.37 H new ATOM 0 HA ARG A 96 15.525 -12.032 -6.170 1.00 1.52 H new ATOM 0 HB2 ARG A 96 15.627 -14.598 -5.260 1.00 1.80 H new ATOM 0 HB3 ARG A 96 17.177 -14.477 -6.069 1.00 1.80 H new ATOM 0 HG2 ARG A 96 16.268 -12.442 -4.029 1.00 1.84 H new ATOM 0 HG3 ARG A 96 17.056 -13.937 -3.565 1.00 1.84 H new ATOM 0 HD2 ARG A 96 18.665 -12.122 -3.565 1.00 2.71 H new ATOM 0 HD3 ARG A 96 19.083 -13.273 -4.820 1.00 2.71 H new ATOM 0 HE ARG A 96 18.554 -11.725 -6.469 1.00 3.76 H new ATOM 0 HH11 ARG A 96 17.652 -10.299 -3.321 1.00 5.18 H new ATOM 0 HH12 ARG A 96 17.355 -8.713 -4.042 1.00 5.18 H new ATOM 0 HH21 ARG A 96 18.115 -9.820 -7.344 1.00 6.18 H new ATOM 0 HH22 ARG A 96 17.622 -8.439 -6.360 1.00 6.18 H new ATOM 1681 N GLU B 4 12.712 -14.734 -0.601 1.00 1.75 N ATOM 1682 CA GLU B 4 13.943 -14.112 -1.097 1.00 1.49 C ATOM 1683 C GLU B 4 14.587 -13.498 0.166 1.00 1.55 C ATOM 1684 O GLU B 4 14.044 -13.739 1.243 1.00 2.16 O ATOM 1685 CB GLU B 4 13.724 -13.231 -2.355 1.00 1.50 C ATOM 1686 CG GLU B 4 13.535 -11.706 -2.214 1.00 1.96 C ATOM 1687 CD GLU B 4 14.262 -10.912 -3.307 1.00 2.60 C ATOM 1688 OE1 GLU B 4 13.737 -10.826 -4.437 1.00 3.18 O ATOM 1689 OE2 GLU B 4 15.387 -10.437 -3.023 1.00 3.41 O ATOM 0 HA GLU B 4 14.663 -14.802 -1.537 1.00 1.49 H new ATOM 0 HB2 GLU B 4 14.578 -13.391 -3.014 1.00 1.50 H new ATOM 0 HB3 GLU B 4 12.846 -13.619 -2.872 1.00 1.50 H new ATOM 0 HG2 GLU B 4 12.471 -11.472 -2.248 1.00 1.96 H new ATOM 0 HG3 GLU B 4 13.900 -11.388 -1.237 1.00 1.96 H new ATOM 1696 N PRO B 5 15.721 -12.778 0.169 1.00 1.67 N ATOM 1697 CA PRO B 5 16.060 -11.922 1.312 1.00 2.05 C ATOM 1698 C PRO B 5 15.025 -10.782 1.508 1.00 1.81 C ATOM 1699 O PRO B 5 15.371 -9.606 1.494 1.00 2.16 O ATOM 1700 CB PRO B 5 17.472 -11.409 1.003 1.00 2.78 C ATOM 1701 CG PRO B 5 17.496 -11.364 -0.524 1.00 2.80 C ATOM 1702 CD PRO B 5 16.658 -12.582 -0.918 1.00 1.99 C ATOM 0 HA PRO B 5 16.035 -12.461 2.259 1.00 2.05 H new ATOM 0 HB2 PRO B 5 17.648 -10.425 1.438 1.00 2.78 H new ATOM 0 HB3 PRO B 5 18.239 -12.075 1.399 1.00 2.78 H new ATOM 0 HG2 PRO B 5 17.067 -10.438 -0.907 1.00 2.80 H new ATOM 0 HG3 PRO B 5 18.512 -11.430 -0.914 1.00 2.80 H new ATOM 0 HD2 PRO B 5 16.136 -12.411 -1.859 1.00 1.99 H new ATOM 0 HD3 PRO B 5 17.286 -13.462 -1.057 1.00 1.99 H new ATOM 1710 N LEU B 6 13.750 -11.129 1.693 1.00 1.53 N ATOM 1711 CA LEU B 6 12.575 -10.273 1.729 1.00 1.41 C ATOM 1712 C LEU B 6 12.087 -10.109 3.177 1.00 1.38 C ATOM 1713 O LEU B 6 12.645 -10.701 4.101 1.00 2.01 O ATOM 1714 CB LEU B 6 11.569 -10.974 0.804 1.00 1.59 C ATOM 1715 CG LEU B 6 10.189 -10.353 0.674 1.00 1.44 C ATOM 1716 CD1 LEU B 6 9.686 -10.481 -0.765 1.00 2.36 C ATOM 1717 CD2 LEU B 6 9.249 -11.116 1.605 1.00 2.26 C ATOM 0 H LEU B 6 13.497 -12.107 1.834 1.00 1.53 H new ATOM 0 HA LEU B 6 12.754 -9.254 1.387 1.00 1.41 H new ATOM 0 HB2 LEU B 6 12.009 -11.029 -0.192 1.00 1.59 H new ATOM 0 HB3 LEU B 6 11.446 -11.998 1.155 1.00 1.59 H new ATOM 0 HG LEU B 6 10.227 -9.296 0.936 1.00 1.44 H new ATOM 0 HD11 LEU B 6 8.696 -10.032 -0.846 1.00 2.36 H new ATOM 0 HD12 LEU B 6 10.373 -9.967 -1.438 1.00 2.36 H new ATOM 0 HD13 LEU B 6 9.630 -11.535 -1.039 1.00 2.36 H new ATOM 0 HD21 LEU B 6 8.246 -10.694 1.536 1.00 2.26 H new ATOM 0 HD22 LEU B 6 9.222 -12.166 1.314 1.00 2.26 H new ATOM 0 HD23 LEU B 6 9.607 -11.033 2.631 1.00 2.26 H new ATOM 1729 N THR B 7 11.067 -9.279 3.421 1.00 1.03 N ATOM 1730 CA THR B 7 10.500 -9.039 4.743 1.00 1.00 C ATOM 1731 C THR B 7 8.992 -8.774 4.616 1.00 0.94 C ATOM 1732 O THR B 7 8.486 -8.670 3.500 1.00 1.16 O ATOM 1733 CB THR B 7 11.289 -7.888 5.386 1.00 1.09 C ATOM 1734 OG1 THR B 7 12.630 -8.286 5.586 1.00 1.54 O ATOM 1735 CG2 THR B 7 10.755 -7.420 6.743 1.00 1.17 C ATOM 0 H THR B 7 10.605 -8.745 2.684 1.00 1.03 H new ATOM 0 HA THR B 7 10.591 -9.906 5.397 1.00 1.00 H new ATOM 0 HB THR B 7 11.189 -7.057 4.688 1.00 1.09 H new ATOM 0 HG1 THR B 7 13.132 -7.550 5.995 1.00 1.54 H new ATOM 0 HG21 THR B 7 11.376 -6.606 7.117 1.00 1.17 H new ATOM 0 HG22 THR B 7 9.729 -7.071 6.629 1.00 1.17 H new ATOM 0 HG23 THR B 7 10.780 -8.250 7.450 1.00 1.17 H new ATOM 1743 N GLU B 8 8.282 -8.678 5.749 1.00 0.97 N ATOM 1744 CA GLU B 8 6.849 -8.424 5.852 1.00 1.03 C ATOM 1745 C GLU B 8 6.362 -7.386 4.834 1.00 0.96 C ATOM 1746 O GLU B 8 5.445 -7.645 4.053 1.00 1.18 O ATOM 1747 CB GLU B 8 6.502 -7.943 7.272 1.00 1.27 C ATOM 1748 CG GLU B 8 6.984 -8.840 8.426 1.00 2.04 C ATOM 1749 CD GLU B 8 6.375 -8.383 9.754 1.00 2.86 C ATOM 1750 OE1 GLU B 8 5.136 -8.214 9.765 1.00 3.64 O ATOM 1751 OE2 GLU B 8 7.140 -8.194 10.728 1.00 3.87 O ATOM 0 H GLU B 8 8.721 -8.782 6.664 1.00 0.97 H new ATOM 0 HA GLU B 8 6.343 -9.364 5.635 1.00 1.03 H new ATOM 0 HB2 GLU B 8 6.925 -6.948 7.411 1.00 1.27 H new ATOM 0 HB3 GLU B 8 5.419 -7.842 7.345 1.00 1.27 H new ATOM 0 HG2 GLU B 8 6.706 -9.875 8.229 1.00 2.04 H new ATOM 0 HG3 GLU B 8 8.072 -8.808 8.488 1.00 2.04 H new ATOM 1758 N LEU B 9 6.979 -6.199 4.844 1.00 0.90 N ATOM 1759 CA LEU B 9 6.580 -5.127 3.948 1.00 1.06 C ATOM 1760 C LEU B 9 6.802 -5.599 2.520 1.00 1.17 C ATOM 1761 O LEU B 9 5.903 -5.474 1.690 1.00 1.46 O ATOM 1762 CB LEU B 9 7.370 -3.838 4.220 1.00 1.15 C ATOM 1763 CG LEU B 9 7.003 -3.075 5.504 1.00 1.36 C ATOM 1764 CD1 LEU B 9 5.503 -2.762 5.597 1.00 2.55 C ATOM 1765 CD2 LEU B 9 7.471 -3.767 6.787 1.00 1.74 C ATOM 0 H LEU B 9 7.754 -5.964 5.464 1.00 0.90 H new ATOM 0 HA LEU B 9 5.528 -4.892 4.112 1.00 1.06 H new ATOM 0 HB2 LEU B 9 8.430 -4.088 4.261 1.00 1.15 H new ATOM 0 HB3 LEU B 9 7.234 -3.167 3.372 1.00 1.15 H new ATOM 0 HG LEU B 9 7.550 -2.135 5.423 1.00 1.36 H new ATOM 0 HD11 LEU B 9 5.301 -2.223 6.522 1.00 2.55 H new ATOM 0 HD12 LEU B 9 5.206 -2.148 4.747 1.00 2.55 H new ATOM 0 HD13 LEU B 9 4.936 -3.693 5.588 1.00 2.55 H new ATOM 0 HD21 LEU B 9 7.176 -3.170 7.650 1.00 1.74 H new ATOM 0 HD22 LEU B 9 7.014 -4.754 6.855 1.00 1.74 H new ATOM 0 HD23 LEU B 9 8.556 -3.870 6.770 1.00 1.74 H new ATOM 1777 N GLU B 10 7.982 -6.181 2.279 1.00 1.09 N ATOM 1778 CA GLU B 10 8.358 -6.820 1.032 1.00 1.33 C ATOM 1779 C GLU B 10 7.184 -7.621 0.467 1.00 1.20 C ATOM 1780 O GLU B 10 6.562 -7.238 -0.522 1.00 1.20 O ATOM 1781 CB GLU B 10 9.006 -5.819 0.083 1.00 1.36 C ATOM 1782 CG GLU B 10 9.679 -6.492 -1.130 1.00 1.27 C ATOM 1783 CD GLU B 10 9.516 -5.680 -2.405 1.00 2.15 C ATOM 1784 OE1 GLU B 10 8.427 -5.096 -2.593 1.00 2.90 O ATOM 1785 OE2 GLU B 10 10.414 -5.698 -3.279 1.00 3.25 O ATOM 0 H GLU B 10 8.723 -6.216 2.979 1.00 1.09 H new ATOM 0 HA GLU B 10 9.137 -7.563 1.204 1.00 1.33 H new ATOM 0 HB2 GLU B 10 8.249 -5.118 -0.270 1.00 1.36 H new ATOM 0 HB3 GLU B 10 9.749 -5.237 0.628 1.00 1.36 H new ATOM 0 HG2 GLU B 10 10.740 -6.630 -0.923 1.00 1.27 H new ATOM 0 HG3 GLU B 10 9.251 -7.484 -1.276 1.00 1.27 H new ATOM 1792 N GLU B 11 6.787 -8.673 1.188 1.00 1.16 N ATOM 1793 CA GLU B 11 5.726 -9.540 0.675 1.00 1.22 C ATOM 1794 C GLU B 11 4.374 -8.822 0.595 1.00 1.09 C ATOM 1795 O GLU B 11 3.537 -9.191 -0.232 1.00 1.13 O ATOM 1796 CB GLU B 11 5.676 -10.927 1.355 1.00 1.50 C ATOM 1797 CG GLU B 11 6.211 -12.005 0.383 1.00 2.56 C ATOM 1798 CD GLU B 11 6.461 -13.380 0.997 1.00 2.85 C ATOM 1799 OE1 GLU B 11 5.717 -13.755 1.920 1.00 2.57 O ATOM 1800 OE2 GLU B 11 7.336 -14.098 0.450 1.00 4.38 O ATOM 0 H GLU B 11 7.168 -8.938 2.096 1.00 1.16 H new ATOM 0 HA GLU B 11 5.990 -9.769 -0.357 1.00 1.22 H new ATOM 0 HB2 GLU B 11 6.273 -10.917 2.267 1.00 1.50 H new ATOM 0 HB3 GLU B 11 4.653 -11.163 1.647 1.00 1.50 H new ATOM 0 HG2 GLU B 11 5.500 -12.116 -0.435 1.00 2.56 H new ATOM 0 HG3 GLU B 11 7.144 -11.646 -0.052 1.00 2.56 H new ATOM 1807 N SER B 12 4.149 -7.769 1.385 1.00 1.05 N ATOM 1808 CA SER B 12 2.896 -7.038 1.283 1.00 1.07 C ATOM 1809 C SER B 12 2.850 -6.270 -0.037 1.00 0.94 C ATOM 1810 O SER B 12 1.856 -6.300 -0.765 1.00 0.99 O ATOM 1811 CB SER B 12 2.718 -6.100 2.479 1.00 1.26 C ATOM 1812 OG SER B 12 2.821 -6.816 3.694 1.00 2.13 O ATOM 0 H SER B 12 4.803 -7.415 2.083 1.00 1.05 H new ATOM 0 HA SER B 12 2.068 -7.747 1.297 1.00 1.07 H new ATOM 0 HB2 SER B 12 3.474 -5.315 2.448 1.00 1.26 H new ATOM 0 HB3 SER B 12 1.747 -5.609 2.421 1.00 1.26 H new ATOM 0 HG SER B 12 3.747 -7.111 3.822 1.00 2.13 H new ATOM 1818 N ILE B 13 3.949 -5.587 -0.354 1.00 0.86 N ATOM 1819 CA ILE B 13 4.074 -4.837 -1.589 1.00 0.85 C ATOM 1820 C ILE B 13 3.908 -5.793 -2.766 1.00 0.78 C ATOM 1821 O ILE B 13 3.120 -5.523 -3.675 1.00 0.77 O ATOM 1822 CB ILE B 13 5.419 -4.093 -1.592 1.00 0.90 C ATOM 1823 CG1 ILE B 13 5.351 -2.971 -0.550 1.00 1.03 C ATOM 1824 CG2 ILE B 13 5.812 -3.482 -2.948 1.00 0.90 C ATOM 1825 CD1 ILE B 13 6.723 -2.649 0.011 1.00 1.00 C ATOM 0 H ILE B 13 4.775 -5.542 0.243 1.00 0.86 H new ATOM 0 HA ILE B 13 3.294 -4.081 -1.678 1.00 0.85 H new ATOM 0 HB ILE B 13 6.183 -4.836 -1.362 1.00 0.90 H new ATOM 0 HG12 ILE B 13 4.923 -2.077 -1.004 1.00 1.03 H new ATOM 0 HG13 ILE B 13 4.685 -3.266 0.261 1.00 1.03 H new ATOM 0 HG21 ILE B 13 6.774 -2.978 -2.855 1.00 0.90 H new ATOM 0 HG22 ILE B 13 5.888 -4.272 -3.695 1.00 0.90 H new ATOM 0 HG23 ILE B 13 5.053 -2.763 -3.256 1.00 0.90 H new ATOM 0 HD11 ILE B 13 6.637 -1.849 0.747 1.00 1.00 H new ATOM 0 HD12 ILE B 13 7.139 -3.537 0.487 1.00 1.00 H new ATOM 0 HD13 ILE B 13 7.381 -2.329 -0.797 1.00 1.00 H new ATOM 1837 N GLU B 14 4.613 -6.927 -2.712 1.00 0.80 N ATOM 1838 CA GLU B 14 4.499 -8.003 -3.687 1.00 0.83 C ATOM 1839 C GLU B 14 3.029 -8.381 -3.889 1.00 0.81 C ATOM 1840 O GLU B 14 2.545 -8.431 -5.016 1.00 0.86 O ATOM 1841 CB GLU B 14 5.309 -9.209 -3.223 1.00 1.10 C ATOM 1842 CG GLU B 14 6.785 -8.838 -3.035 1.00 1.93 C ATOM 1843 CD GLU B 14 7.609 -9.151 -4.259 1.00 3.29 C ATOM 1844 OE1 GLU B 14 7.835 -10.359 -4.467 1.00 3.81 O ATOM 1845 OE2 GLU B 14 7.971 -8.187 -4.974 1.00 4.52 O ATOM 0 H GLU B 14 5.290 -7.121 -1.974 1.00 0.80 H new ATOM 0 HA GLU B 14 4.897 -7.663 -4.643 1.00 0.83 H new ATOM 0 HB2 GLU B 14 4.902 -9.586 -2.285 1.00 1.10 H new ATOM 0 HB3 GLU B 14 5.222 -10.013 -3.954 1.00 1.10 H new ATOM 0 HG2 GLU B 14 6.865 -7.775 -2.807 1.00 1.93 H new ATOM 0 HG3 GLU B 14 7.188 -9.379 -2.179 1.00 1.93 H new ATOM 1852 N THR B 15 2.313 -8.625 -2.788 1.00 0.79 N ATOM 1853 CA THR B 15 0.896 -8.970 -2.823 1.00 0.80 C ATOM 1854 C THR B 15 0.104 -7.907 -3.586 1.00 0.76 C ATOM 1855 O THR B 15 -0.671 -8.247 -4.482 1.00 0.79 O ATOM 1856 CB THR B 15 0.341 -9.219 -1.411 1.00 0.87 C ATOM 1857 OG1 THR B 15 1.073 -10.264 -0.806 1.00 0.99 O ATOM 1858 CG2 THR B 15 -1.127 -9.655 -1.452 1.00 0.95 C ATOM 0 H THR B 15 2.704 -8.588 -1.847 1.00 0.79 H new ATOM 0 HA THR B 15 0.783 -9.909 -3.364 1.00 0.80 H new ATOM 0 HB THR B 15 0.426 -8.287 -0.853 1.00 0.87 H new ATOM 0 HG1 THR B 15 1.941 -9.923 -0.504 1.00 0.99 H new ATOM 0 HG21 THR B 15 -1.485 -9.822 -0.436 1.00 0.95 H new ATOM 0 HG22 THR B 15 -1.725 -8.876 -1.924 1.00 0.95 H new ATOM 0 HG23 THR B 15 -1.217 -10.578 -2.025 1.00 0.95 H new ATOM 1866 N VAL B 16 0.300 -6.622 -3.279 1.00 0.74 N ATOM 1867 CA VAL B 16 -0.387 -5.567 -4.002 1.00 0.73 C ATOM 1868 C VAL B 16 -0.060 -5.626 -5.498 1.00 0.76 C ATOM 1869 O VAL B 16 -0.974 -5.681 -6.320 1.00 0.78 O ATOM 1870 CB VAL B 16 -0.067 -4.198 -3.387 1.00 0.76 C ATOM 1871 CG1 VAL B 16 -0.595 -3.106 -4.316 1.00 0.79 C ATOM 1872 CG2 VAL B 16 -0.706 -4.054 -2.001 1.00 0.92 C ATOM 0 H VAL B 16 0.924 -6.296 -2.541 1.00 0.74 H new ATOM 0 HA VAL B 16 -1.462 -5.719 -3.909 1.00 0.73 H new ATOM 0 HB VAL B 16 1.013 -4.105 -3.271 1.00 0.76 H new ATOM 0 HG11 VAL B 16 -0.374 -2.127 -3.890 1.00 0.79 H new ATOM 0 HG12 VAL B 16 -0.115 -3.194 -5.291 1.00 0.79 H new ATOM 0 HG13 VAL B 16 -1.673 -3.216 -4.431 1.00 0.79 H new ATOM 0 HG21 VAL B 16 -0.463 -3.075 -1.588 1.00 0.92 H new ATOM 0 HG22 VAL B 16 -1.788 -4.153 -2.087 1.00 0.92 H new ATOM 0 HG23 VAL B 16 -0.322 -4.831 -1.341 1.00 0.92 H new ATOM 1882 N VAL B 17 1.224 -5.600 -5.875 1.00 0.80 N ATOM 1883 CA VAL B 17 1.574 -5.612 -7.296 1.00 0.86 C ATOM 1884 C VAL B 17 0.997 -6.856 -8.004 1.00 0.81 C ATOM 1885 O VAL B 17 0.530 -6.761 -9.141 1.00 0.86 O ATOM 1886 CB VAL B 17 3.075 -5.378 -7.554 1.00 0.80 C ATOM 1887 CG1 VAL B 17 3.543 -3.994 -7.078 1.00 1.14 C ATOM 1888 CG2 VAL B 17 3.959 -6.434 -6.905 1.00 0.76 C ATOM 0 H VAL B 17 2.017 -5.571 -5.234 1.00 0.80 H new ATOM 0 HA VAL B 17 1.092 -4.750 -7.756 1.00 0.86 H new ATOM 0 HB VAL B 17 3.182 -5.444 -8.637 1.00 0.80 H new ATOM 0 HG11 VAL B 17 4.607 -3.880 -7.283 1.00 1.14 H new ATOM 0 HG12 VAL B 17 2.987 -3.220 -7.607 1.00 1.14 H new ATOM 0 HG13 VAL B 17 3.367 -3.899 -6.006 1.00 1.14 H new ATOM 0 HG21 VAL B 17 5.005 -6.216 -7.122 1.00 0.76 H new ATOM 0 HG22 VAL B 17 3.803 -6.427 -5.826 1.00 0.76 H new ATOM 0 HG23 VAL B 17 3.703 -7.416 -7.302 1.00 0.76 H new ATOM 1898 N THR B 18 0.975 -8.003 -7.317 1.00 0.81 N ATOM 1899 CA THR B 18 0.300 -9.225 -7.749 1.00 0.87 C ATOM 1900 C THR B 18 -1.192 -8.986 -7.982 1.00 0.85 C ATOM 1901 O THR B 18 -1.737 -9.401 -9.005 1.00 0.90 O ATOM 1902 CB THR B 18 0.532 -10.335 -6.701 1.00 1.09 C ATOM 1903 OG1 THR B 18 1.672 -11.085 -7.067 1.00 1.60 O ATOM 1904 CG2 THR B 18 -0.665 -11.271 -6.484 1.00 1.18 C ATOM 0 H THR B 18 1.442 -8.107 -6.416 1.00 0.81 H new ATOM 0 HA THR B 18 0.722 -9.542 -8.703 1.00 0.87 H new ATOM 0 HB THR B 18 0.680 -9.830 -5.747 1.00 1.09 H new ATOM 0 HG1 THR B 18 1.826 -11.791 -6.405 1.00 1.60 H new ATOM 0 HG21 THR B 18 -0.411 -12.018 -5.732 1.00 1.18 H new ATOM 0 HG22 THR B 18 -1.523 -10.691 -6.144 1.00 1.18 H new ATOM 0 HG23 THR B 18 -0.912 -11.769 -7.421 1.00 1.18 H new ATOM 1912 N THR B 19 -1.869 -8.368 -7.015 1.00 0.84 N ATOM 1913 CA THR B 19 -3.321 -8.274 -6.980 1.00 0.87 C ATOM 1914 C THR B 19 -3.871 -7.680 -8.285 1.00 0.78 C ATOM 1915 O THR B 19 -4.885 -8.150 -8.792 1.00 0.85 O ATOM 1916 CB THR B 19 -3.731 -7.503 -5.722 1.00 0.98 C ATOM 1917 OG1 THR B 19 -3.424 -8.273 -4.578 1.00 1.19 O ATOM 1918 CG2 THR B 19 -5.222 -7.165 -5.676 1.00 1.07 C ATOM 0 H THR B 19 -1.414 -7.913 -6.224 1.00 0.84 H new ATOM 0 HA THR B 19 -3.768 -9.266 -6.917 1.00 0.87 H new ATOM 0 HB THR B 19 -3.176 -6.565 -5.743 1.00 0.98 H new ATOM 0 HG1 THR B 19 -2.455 -8.413 -4.528 1.00 1.19 H new ATOM 0 HG21 THR B 19 -5.443 -6.619 -4.759 1.00 1.07 H new ATOM 0 HG22 THR B 19 -5.482 -6.549 -6.537 1.00 1.07 H new ATOM 0 HG23 THR B 19 -5.805 -8.086 -5.700 1.00 1.07 H new ATOM 1926 N PHE B 20 -3.186 -6.692 -8.875 1.00 0.72 N ATOM 1927 CA PHE B 20 -3.560 -6.190 -10.198 1.00 0.75 C ATOM 1928 C PHE B 20 -3.644 -7.298 -11.253 1.00 0.87 C ATOM 1929 O PHE B 20 -4.529 -7.276 -12.101 1.00 1.06 O ATOM 1930 CB PHE B 20 -2.560 -5.138 -10.677 1.00 0.76 C ATOM 1931 CG PHE B 20 -2.449 -3.933 -9.776 1.00 0.63 C ATOM 1932 CD1 PHE B 20 -3.527 -3.042 -9.655 1.00 1.34 C ATOM 1933 CD2 PHE B 20 -1.267 -3.705 -9.057 1.00 1.68 C ATOM 1934 CE1 PHE B 20 -3.393 -1.891 -8.863 1.00 1.29 C ATOM 1935 CE2 PHE B 20 -1.167 -2.602 -8.194 1.00 1.82 C ATOM 1936 CZ PHE B 20 -2.207 -1.664 -8.144 1.00 0.85 C ATOM 0 H PHE B 20 -2.377 -6.230 -8.459 1.00 0.72 H new ATOM 0 HA PHE B 20 -4.552 -5.752 -10.084 1.00 0.75 H new ATOM 0 HB2 PHE B 20 -1.578 -5.602 -10.767 1.00 0.76 H new ATOM 0 HB3 PHE B 20 -2.849 -4.806 -11.674 1.00 0.76 H new ATOM 0 HD1 PHE B 20 -4.456 -3.241 -10.169 1.00 1.34 H new ATOM 0 HD2 PHE B 20 -0.431 -4.380 -9.167 1.00 1.68 H new ATOM 0 HE1 PHE B 20 -4.203 -1.179 -8.806 1.00 1.29 H new ATOM 0 HE2 PHE B 20 -0.293 -2.477 -7.572 1.00 1.82 H new ATOM 0 HZ PHE B 20 -2.097 -0.767 -7.553 1.00 0.85 H new ATOM 1946 N PHE B 21 -2.690 -8.235 -11.240 1.00 0.85 N ATOM 1947 CA PHE B 21 -2.697 -9.383 -12.139 1.00 1.02 C ATOM 1948 C PHE B 21 -3.869 -10.294 -11.778 1.00 1.15 C ATOM 1949 O PHE B 21 -4.616 -10.739 -12.648 1.00 1.39 O ATOM 1950 CB PHE B 21 -1.358 -10.129 -12.061 1.00 1.14 C ATOM 1951 CG PHE B 21 -1.146 -11.122 -13.188 1.00 1.63 C ATOM 1952 CD1 PHE B 21 -1.665 -12.427 -13.086 1.00 2.58 C ATOM 1953 CD2 PHE B 21 -0.462 -10.732 -14.355 1.00 2.50 C ATOM 1954 CE1 PHE B 21 -1.498 -13.336 -14.145 1.00 3.43 C ATOM 1955 CE2 PHE B 21 -0.294 -11.642 -15.412 1.00 3.18 C ATOM 1956 CZ PHE B 21 -0.812 -12.945 -15.308 1.00 3.41 C ATOM 0 H PHE B 21 -1.893 -8.214 -10.604 1.00 0.85 H new ATOM 0 HA PHE B 21 -2.822 -9.047 -13.168 1.00 1.02 H new ATOM 0 HB2 PHE B 21 -0.546 -9.402 -12.072 1.00 1.14 H new ATOM 0 HB3 PHE B 21 -1.301 -10.656 -11.109 1.00 1.14 H new ATOM 0 HD1 PHE B 21 -2.192 -12.730 -12.193 1.00 2.58 H new ATOM 0 HD2 PHE B 21 -0.065 -9.731 -14.438 1.00 2.50 H new ATOM 0 HE1 PHE B 21 -1.897 -14.336 -14.065 1.00 3.43 H new ATOM 0 HE2 PHE B 21 0.233 -11.341 -16.305 1.00 3.18 H new ATOM 0 HZ PHE B 21 -0.683 -13.645 -16.121 1.00 3.41 H new ATOM 1966 N THR B 22 -4.064 -10.542 -10.482 1.00 1.23 N ATOM 1967 CA THR B 22 -5.130 -11.404 -9.993 1.00 1.55 C ATOM 1968 C THR B 22 -6.435 -10.598 -9.943 1.00 1.43 C ATOM 1969 O THR B 22 -7.010 -10.382 -8.879 1.00 1.68 O ATOM 1970 CB THR B 22 -4.723 -11.950 -8.614 1.00 2.06 C ATOM 1971 OG1 THR B 22 -3.364 -12.343 -8.650 1.00 2.95 O ATOM 1972 CG2 THR B 22 -5.572 -13.155 -8.198 1.00 2.33 C ATOM 0 H THR B 22 -3.482 -10.147 -9.743 1.00 1.23 H new ATOM 0 HA THR B 22 -5.294 -12.255 -10.655 1.00 1.55 H new ATOM 0 HB THR B 22 -4.881 -11.155 -7.885 1.00 2.06 H new ATOM 0 HG1 THR B 22 -3.100 -12.690 -7.772 1.00 2.95 H new ATOM 0 HG21 THR B 22 -5.249 -13.507 -7.218 1.00 2.33 H new ATOM 0 HG22 THR B 22 -6.621 -12.862 -8.151 1.00 2.33 H new ATOM 0 HG23 THR B 22 -5.451 -13.955 -8.929 1.00 2.33 H new ATOM 2097 N LYS B 30 -1.839 -4.450 -17.833 1.00 1.79 N ATOM 2098 CA LYS B 30 -0.974 -3.359 -18.256 1.00 2.02 C ATOM 2099 C LYS B 30 -0.341 -2.754 -17.002 1.00 1.87 C ATOM 2100 O LYS B 30 0.840 -2.985 -16.740 1.00 2.61 O ATOM 2101 CB LYS B 30 -1.738 -2.338 -19.117 1.00 2.48 C ATOM 2102 CG LYS B 30 -0.754 -1.576 -20.019 1.00 3.50 C ATOM 2103 CD LYS B 30 -1.360 -0.284 -20.585 1.00 3.98 C ATOM 2104 CE LYS B 30 -1.194 0.853 -19.565 1.00 4.53 C ATOM 2105 NZ LYS B 30 -1.771 2.129 -20.023 1.00 5.06 N ATOM 0 HA LYS B 30 -0.177 -3.723 -18.904 1.00 2.02 H new ATOM 0 HB2 LYS B 30 -2.483 -2.849 -19.727 1.00 2.48 H new ATOM 0 HB3 LYS B 30 -2.275 -1.638 -18.477 1.00 2.48 H new ATOM 0 HG2 LYS B 30 0.144 -1.334 -19.450 1.00 3.50 H new ATOM 0 HG3 LYS B 30 -0.446 -2.221 -20.842 1.00 3.50 H new ATOM 0 HD2 LYS B 30 -0.869 -0.020 -21.522 1.00 3.98 H new ATOM 0 HD3 LYS B 30 -2.416 -0.434 -20.809 1.00 3.98 H new ATOM 0 HE2 LYS B 30 -1.667 0.563 -18.627 1.00 4.53 H new ATOM 0 HE3 LYS B 30 -0.133 0.995 -19.357 1.00 4.53 H new ATOM 0 HZ1 LYS B 30 -1.689 2.838 -19.267 1.00 5.06 H new ATOM 0 HZ2 LYS B 30 -1.258 2.459 -20.865 1.00 5.06 H new ATOM 0 HZ3 LYS B 30 -2.774 1.991 -20.260 1.00 5.06 H new ATOM 2119 N ASP B 31 -1.151 -2.047 -16.204 1.00 1.31 N ATOM 2120 CA ASP B 31 -0.731 -1.412 -14.963 1.00 1.14 C ATOM 2121 C ASP B 31 -1.708 -1.773 -13.847 1.00 1.18 C ATOM 2122 O ASP B 31 -1.545 -2.788 -13.169 1.00 1.50 O ATOM 2123 CB ASP B 31 -0.611 0.108 -15.154 1.00 1.16 C ATOM 2124 CG ASP B 31 0.569 0.492 -16.027 1.00 1.89 C ATOM 2125 OD1 ASP B 31 1.709 0.138 -15.667 1.00 2.78 O ATOM 2126 OD2 ASP B 31 0.290 1.214 -17.010 1.00 2.84 O ATOM 0 H ASP B 31 -2.138 -1.901 -16.414 1.00 1.31 H new ATOM 0 HA ASP B 31 0.255 -1.779 -14.678 1.00 1.14 H new ATOM 0 HB2 ASP B 31 -1.529 0.488 -15.602 1.00 1.16 H new ATOM 0 HB3 ASP B 31 -0.509 0.587 -14.180 1.00 1.16 H new ATOM 2131 N SER B 32 -2.729 -0.933 -13.691 1.00 1.09 N ATOM 2132 CA SER B 32 -3.816 -1.045 -12.742 1.00 1.12 C ATOM 2133 C SER B 32 -5.123 -0.824 -13.516 1.00 1.10 C ATOM 2134 O SER B 32 -5.160 -1.063 -14.722 1.00 1.15 O ATOM 2135 CB SER B 32 -3.579 -0.004 -11.639 1.00 1.16 C ATOM 2136 OG SER B 32 -2.267 -0.112 -11.119 1.00 2.83 O ATOM 0 H SER B 32 -2.817 -0.098 -14.270 1.00 1.09 H new ATOM 0 HA SER B 32 -3.875 -2.022 -12.263 1.00 1.12 H new ATOM 0 HB2 SER B 32 -3.735 0.998 -12.039 1.00 1.16 H new ATOM 0 HB3 SER B 32 -4.305 -0.144 -10.838 1.00 1.16 H new ATOM 0 HG SER B 32 -2.284 -0.644 -10.296 1.00 2.83 H new ATOM 2142 N LEU B 33 -6.191 -0.388 -12.841 1.00 1.09 N ATOM 2143 CA LEU B 33 -7.507 -0.217 -13.441 1.00 1.09 C ATOM 2144 C LEU B 33 -7.648 1.225 -13.962 1.00 1.09 C ATOM 2145 O LEU B 33 -6.651 1.870 -14.284 1.00 1.25 O ATOM 2146 CB LEU B 33 -8.591 -0.586 -12.405 1.00 1.06 C ATOM 2147 CG LEU B 33 -8.432 -1.937 -11.676 1.00 1.19 C ATOM 2148 CD1 LEU B 33 -8.034 -3.077 -12.621 1.00 1.93 C ATOM 2149 CD2 LEU B 33 -7.488 -1.892 -10.465 1.00 1.43 C ATOM 0 H LEU B 33 -6.160 -0.143 -11.851 1.00 1.09 H new ATOM 0 HA LEU B 33 -7.633 -0.882 -14.295 1.00 1.09 H new ATOM 0 HB2 LEU B 33 -8.624 0.203 -11.653 1.00 1.06 H new ATOM 0 HB3 LEU B 33 -9.557 -0.585 -12.910 1.00 1.06 H new ATOM 0 HG LEU B 33 -9.429 -2.145 -11.288 1.00 1.19 H new ATOM 0 HD11 LEU B 33 -7.937 -4.003 -12.054 1.00 1.93 H new ATOM 0 HD12 LEU B 33 -8.800 -3.199 -13.386 1.00 1.93 H new ATOM 0 HD13 LEU B 33 -7.082 -2.840 -13.096 1.00 1.93 H new ATOM 0 HD21 LEU B 33 -7.432 -2.881 -10.010 1.00 1.43 H new ATOM 0 HD22 LEU B 33 -6.494 -1.585 -10.790 1.00 1.43 H new ATOM 0 HD23 LEU B 33 -7.867 -1.178 -9.734 1.00 1.43 H new ATOM 2161 N SER B 34 -8.876 1.751 -13.990 1.00 1.09 N ATOM 2162 CA SER B 34 -9.169 3.176 -14.081 1.00 1.12 C ATOM 2163 C SER B 34 -9.657 3.622 -12.700 1.00 0.96 C ATOM 2164 O SER B 34 -10.109 2.790 -11.908 1.00 0.86 O ATOM 2165 CB SER B 34 -10.193 3.412 -15.193 1.00 1.26 C ATOM 2166 OG SER B 34 -9.659 2.957 -16.424 1.00 2.15 O ATOM 0 H SER B 34 -9.717 1.175 -13.948 1.00 1.09 H new ATOM 0 HA SER B 34 -8.293 3.768 -14.345 1.00 1.12 H new ATOM 0 HB2 SER B 34 -11.120 2.884 -14.968 1.00 1.26 H new ATOM 0 HB3 SER B 34 -10.438 4.472 -15.259 1.00 1.26 H new ATOM 0 HG SER B 34 -10.313 3.105 -17.139 1.00 2.15 H new ATOM 2172 N VAL B 35 -9.473 4.899 -12.355 1.00 1.10 N ATOM 2173 CA VAL B 35 -9.560 5.331 -10.963 1.00 1.13 C ATOM 2174 C VAL B 35 -11.008 5.213 -10.460 1.00 0.95 C ATOM 2175 O VAL B 35 -11.274 4.745 -9.351 1.00 0.88 O ATOM 2176 CB VAL B 35 -9.007 6.759 -10.832 1.00 1.41 C ATOM 2177 CG1 VAL B 35 -8.757 7.102 -9.366 1.00 1.65 C ATOM 2178 CG2 VAL B 35 -7.674 6.985 -11.561 1.00 1.53 C ATOM 0 H VAL B 35 -9.264 5.646 -13.018 1.00 1.10 H new ATOM 0 HA VAL B 35 -8.951 4.683 -10.333 1.00 1.13 H new ATOM 0 HB VAL B 35 -9.769 7.391 -11.287 1.00 1.41 H new ATOM 0 HG11 VAL B 35 -8.366 8.117 -9.291 1.00 1.65 H new ATOM 0 HG12 VAL B 35 -9.693 7.032 -8.811 1.00 1.65 H new ATOM 0 HG13 VAL B 35 -8.034 6.402 -8.947 1.00 1.65 H new ATOM 0 HG21 VAL B 35 -7.352 8.017 -11.420 1.00 1.53 H new ATOM 0 HG22 VAL B 35 -6.919 6.311 -11.156 1.00 1.53 H new ATOM 0 HG23 VAL B 35 -7.803 6.788 -12.625 1.00 1.53 H new ATOM 2188 N ASN B 36 -11.939 5.635 -11.315 1.00 1.01 N ATOM 2189 CA ASN B 36 -13.387 5.519 -11.167 1.00 1.09 C ATOM 2190 C ASN B 36 -13.751 4.094 -10.746 1.00 1.03 C ATOM 2191 O ASN B 36 -14.287 3.876 -9.660 1.00 0.99 O ATOM 2192 CB ASN B 36 -14.163 5.876 -12.470 1.00 1.61 C ATOM 2193 CG ASN B 36 -13.368 6.147 -13.763 1.00 3.76 C ATOM 2194 OD1 ASN B 36 -12.200 5.794 -13.913 1.00 5.41 O ATOM 2195 ND2 ASN B 36 -13.956 6.897 -14.690 1.00 4.21 N ATOM 0 H ASN B 36 -11.683 6.098 -12.187 1.00 1.01 H new ATOM 0 HA ASN B 36 -13.682 6.238 -10.403 1.00 1.09 H new ATOM 0 HB2 ASN B 36 -14.856 5.060 -12.675 1.00 1.61 H new ATOM 0 HB3 ASN B 36 -14.765 6.761 -12.262 1.00 1.61 H new ATOM 0 HD21 ASN B 36 -13.438 7.178 -15.523 1.00 4.21 H new ATOM 0 HD22 ASN B 36 -14.925 7.192 -14.569 1.00 4.21 H new ATOM 2202 N GLU B 37 -13.431 3.124 -11.602 1.00 1.10 N ATOM 2203 CA GLU B 37 -13.720 1.722 -11.380 1.00 1.06 C ATOM 2204 C GLU B 37 -13.069 1.288 -10.072 1.00 0.96 C ATOM 2205 O GLU B 37 -13.737 0.732 -9.208 1.00 0.97 O ATOM 2206 CB GLU B 37 -13.216 0.884 -12.566 1.00 1.24 C ATOM 2207 CG GLU B 37 -14.138 0.970 -13.796 1.00 1.58 C ATOM 2208 CD GLU B 37 -14.257 2.363 -14.404 1.00 3.08 C ATOM 2209 OE1 GLU B 37 -13.302 3.149 -14.221 1.00 3.63 O ATOM 2210 OE2 GLU B 37 -15.305 2.625 -15.029 1.00 4.48 O ATOM 0 H GLU B 37 -12.954 3.303 -12.486 1.00 1.10 H new ATOM 0 HA GLU B 37 -14.796 1.566 -11.305 1.00 1.06 H new ATOM 0 HB2 GLU B 37 -12.217 1.220 -12.843 1.00 1.24 H new ATOM 0 HB3 GLU B 37 -13.128 -0.157 -12.257 1.00 1.24 H new ATOM 0 HG2 GLU B 37 -13.768 0.285 -14.559 1.00 1.58 H new ATOM 0 HG3 GLU B 37 -15.133 0.625 -13.513 1.00 1.58 H new ATOM 2217 N PHE B 38 -11.773 1.566 -9.912 1.00 0.90 N ATOM 2218 CA PHE B 38 -11.044 1.261 -8.689 1.00 0.82 C ATOM 2219 C PHE B 38 -11.828 1.656 -7.435 1.00 0.78 C ATOM 2220 O PHE B 38 -12.011 0.811 -6.561 1.00 0.78 O ATOM 2221 CB PHE B 38 -9.653 1.894 -8.739 1.00 0.81 C ATOM 2222 CG PHE B 38 -9.036 2.219 -7.394 1.00 0.81 C ATOM 2223 CD1 PHE B 38 -8.342 1.232 -6.674 1.00 2.24 C ATOM 2224 CD2 PHE B 38 -9.227 3.493 -6.825 1.00 2.09 C ATOM 2225 CE1 PHE B 38 -7.759 1.548 -5.435 1.00 2.21 C ATOM 2226 CE2 PHE B 38 -8.755 3.762 -5.531 1.00 2.40 C ATOM 2227 CZ PHE B 38 -7.975 2.810 -4.857 1.00 1.39 C ATOM 0 H PHE B 38 -11.203 2.010 -10.632 1.00 0.90 H new ATOM 0 HA PHE B 38 -10.918 0.180 -8.624 1.00 0.82 H new ATOM 0 HB2 PHE B 38 -8.984 1.218 -9.272 1.00 0.81 H new ATOM 0 HB3 PHE B 38 -9.711 2.812 -9.324 1.00 0.81 H new ATOM 0 HD1 PHE B 38 -8.257 0.232 -7.072 1.00 2.24 H new ATOM 0 HD2 PHE B 38 -9.737 4.263 -7.385 1.00 2.09 H new ATOM 0 HE1 PHE B 38 -7.144 0.820 -4.927 1.00 2.21 H new ATOM 0 HE2 PHE B 38 -8.992 4.702 -5.054 1.00 2.40 H new ATOM 0 HZ PHE B 38 -7.542 3.047 -3.896 1.00 1.39 H new ATOM 2237 N LYS B 39 -12.319 2.900 -7.356 1.00 0.78 N ATOM 2238 CA LYS B 39 -13.142 3.351 -6.235 1.00 0.80 C ATOM 2239 C LYS B 39 -14.283 2.352 -5.972 1.00 0.88 C ATOM 2240 O LYS B 39 -14.523 1.944 -4.832 1.00 0.97 O ATOM 2241 CB LYS B 39 -13.628 4.793 -6.488 1.00 0.91 C ATOM 2242 CG LYS B 39 -14.646 5.308 -5.452 1.00 0.98 C ATOM 2243 CD LYS B 39 -16.107 5.213 -5.930 1.00 1.58 C ATOM 2244 CE LYS B 39 -16.433 6.188 -7.082 1.00 2.93 C ATOM 2245 NZ LYS B 39 -17.819 6.049 -7.583 1.00 3.73 N ATOM 0 H LYS B 39 -12.156 3.615 -8.065 1.00 0.78 H new ATOM 0 HA LYS B 39 -12.549 3.378 -5.321 1.00 0.80 H new ATOM 0 HB2 LYS B 39 -12.765 5.459 -6.495 1.00 0.91 H new ATOM 0 HB3 LYS B 39 -14.078 4.844 -7.479 1.00 0.91 H new ATOM 0 HG2 LYS B 39 -14.535 4.737 -4.530 1.00 0.98 H new ATOM 0 HG3 LYS B 39 -14.416 6.346 -5.213 1.00 0.98 H new ATOM 0 HD2 LYS B 39 -16.310 4.193 -6.257 1.00 1.58 H new ATOM 0 HD3 LYS B 39 -16.772 5.417 -5.090 1.00 1.58 H new ATOM 0 HE2 LYS B 39 -16.277 7.211 -6.740 1.00 2.93 H new ATOM 0 HE3 LYS B 39 -15.737 6.017 -7.903 1.00 2.93 H new ATOM 0 HZ1 LYS B 39 -18.170 6.977 -7.894 1.00 3.73 H new ATOM 0 HZ2 LYS B 39 -17.834 5.387 -8.385 1.00 3.73 H new ATOM 0 HZ3 LYS B 39 -18.428 5.686 -6.822 1.00 3.73 H new ATOM 2259 N GLU B 40 -14.981 1.944 -7.031 1.00 0.94 N ATOM 2260 CA GLU B 40 -16.129 1.054 -6.942 1.00 1.04 C ATOM 2261 C GLU B 40 -15.717 -0.401 -6.675 1.00 1.04 C ATOM 2262 O GLU B 40 -16.468 -1.153 -6.060 1.00 1.37 O ATOM 2263 CB GLU B 40 -17.029 1.252 -8.170 1.00 1.12 C ATOM 2264 CG GLU B 40 -17.462 2.727 -8.182 1.00 1.15 C ATOM 2265 CD GLU B 40 -18.492 3.095 -9.230 1.00 1.56 C ATOM 2266 OE1 GLU B 40 -18.963 2.200 -9.956 1.00 2.70 O ATOM 2267 OE2 GLU B 40 -18.789 4.313 -9.234 1.00 2.34 O ATOM 0 H GLU B 40 -14.759 2.228 -7.985 1.00 0.94 H new ATOM 0 HA GLU B 40 -16.727 1.317 -6.069 1.00 1.04 H new ATOM 0 HB2 GLU B 40 -16.492 1.001 -9.085 1.00 1.12 H new ATOM 0 HB3 GLU B 40 -17.898 0.596 -8.120 1.00 1.12 H new ATOM 0 HG2 GLU B 40 -17.863 2.978 -7.200 1.00 1.15 H new ATOM 0 HG3 GLU B 40 -16.578 3.346 -8.333 1.00 1.15 H new ATOM 2274 N LEU B 41 -14.506 -0.802 -7.059 1.00 0.85 N ATOM 2275 CA LEU B 41 -13.956 -2.093 -6.667 1.00 0.84 C ATOM 2276 C LEU B 41 -13.627 -2.077 -5.165 1.00 0.76 C ATOM 2277 O LEU B 41 -14.187 -2.870 -4.407 1.00 0.84 O ATOM 2278 CB LEU B 41 -12.744 -2.452 -7.547 1.00 0.97 C ATOM 2279 CG LEU B 41 -13.074 -3.199 -8.858 1.00 1.07 C ATOM 2280 CD1 LEU B 41 -13.463 -4.665 -8.627 1.00 2.11 C ATOM 2281 CD2 LEU B 41 -14.158 -2.531 -9.711 1.00 2.23 C ATOM 0 H LEU B 41 -13.885 -0.244 -7.646 1.00 0.85 H new ATOM 0 HA LEU B 41 -14.694 -2.879 -6.829 1.00 0.84 H new ATOM 0 HB2 LEU B 41 -12.213 -1.533 -7.796 1.00 0.97 H new ATOM 0 HB3 LEU B 41 -12.061 -3.066 -6.961 1.00 0.97 H new ATOM 0 HG LEU B 41 -12.137 -3.154 -9.413 1.00 1.07 H new ATOM 0 HD11 LEU B 41 -13.684 -5.138 -9.584 1.00 2.11 H new ATOM 0 HD12 LEU B 41 -12.638 -5.189 -8.145 1.00 2.11 H new ATOM 0 HD13 LEU B 41 -14.345 -4.711 -7.988 1.00 2.11 H new ATOM 0 HD21 LEU B 41 -14.327 -3.121 -10.612 1.00 2.23 H new ATOM 0 HD22 LEU B 41 -15.084 -2.468 -9.139 1.00 2.23 H new ATOM 0 HD23 LEU B 41 -13.835 -1.528 -9.989 1.00 2.23 H new ATOM 2293 N VAL B 42 -12.740 -1.185 -4.704 1.00 0.74 N ATOM 2294 CA VAL B 42 -12.315 -1.182 -3.301 1.00 0.76 C ATOM 2295 C VAL B 42 -13.535 -1.099 -2.370 1.00 0.82 C ATOM 2296 O VAL B 42 -13.625 -1.849 -1.398 1.00 0.92 O ATOM 2297 CB VAL B 42 -11.278 -0.081 -2.984 1.00 0.80 C ATOM 2298 CG1 VAL B 42 -10.012 -0.256 -3.819 1.00 1.53 C ATOM 2299 CG2 VAL B 42 -11.789 1.353 -3.147 1.00 1.63 C ATOM 0 H VAL B 42 -12.307 -0.462 -5.278 1.00 0.74 H new ATOM 0 HA VAL B 42 -11.804 -2.128 -3.120 1.00 0.76 H new ATOM 0 HB VAL B 42 -11.061 -0.216 -1.924 1.00 0.80 H new ATOM 0 HG11 VAL B 42 -9.302 0.534 -3.573 1.00 1.53 H new ATOM 0 HG12 VAL B 42 -9.565 -1.226 -3.603 1.00 1.53 H new ATOM 0 HG13 VAL B 42 -10.264 -0.200 -4.878 1.00 1.53 H new ATOM 0 HG21 VAL B 42 -10.991 2.054 -2.902 1.00 1.63 H new ATOM 0 HG22 VAL B 42 -12.107 1.511 -4.177 1.00 1.63 H new ATOM 0 HG23 VAL B 42 -12.633 1.517 -2.477 1.00 1.63 H new ATOM 2309 N THR B 43 -14.503 -0.225 -2.682 1.00 0.87 N ATOM 2310 CA THR B 43 -15.679 -0.058 -1.833 1.00 1.03 C ATOM 2311 C THR B 43 -16.460 -1.374 -1.681 1.00 1.09 C ATOM 2312 O THR B 43 -17.122 -1.568 -0.665 1.00 1.41 O ATOM 2313 CB THR B 43 -16.548 1.123 -2.309 1.00 1.21 C ATOM 2314 OG1 THR B 43 -17.321 1.646 -1.254 1.00 1.65 O ATOM 2315 CG2 THR B 43 -17.503 0.749 -3.437 1.00 1.54 C ATOM 0 H THR B 43 -14.491 0.370 -3.510 1.00 0.87 H new ATOM 0 HA THR B 43 -15.342 0.201 -0.829 1.00 1.03 H new ATOM 0 HB THR B 43 -15.839 1.865 -2.677 1.00 1.21 H new ATOM 0 HG1 THR B 43 -17.861 2.394 -1.584 1.00 1.65 H new ATOM 0 HG21 THR B 43 -18.085 1.624 -3.726 1.00 1.54 H new ATOM 0 HG22 THR B 43 -16.932 0.394 -4.295 1.00 1.54 H new ATOM 0 HG23 THR B 43 -18.176 -0.039 -3.098 1.00 1.54 H new ATOM 2323 N GLN B 44 -16.386 -2.278 -2.670 1.00 1.00 N ATOM 2324 CA GLN B 44 -16.954 -3.615 -2.545 1.00 1.09 C ATOM 2325 C GLN B 44 -16.012 -4.508 -1.736 1.00 1.04 C ATOM 2326 O GLN B 44 -16.463 -5.193 -0.823 1.00 1.12 O ATOM 2327 CB GLN B 44 -17.225 -4.227 -3.925 1.00 1.22 C ATOM 2328 CG GLN B 44 -18.391 -3.523 -4.635 1.00 1.62 C ATOM 2329 CD GLN B 44 -18.638 -4.087 -6.032 1.00 2.30 C ATOM 2330 OE1 GLN B 44 -18.744 -3.350 -7.004 1.00 3.25 O ATOM 2331 NE2 GLN B 44 -18.755 -5.407 -6.153 1.00 3.11 N ATOM 0 H GLN B 44 -15.934 -2.099 -3.567 1.00 1.00 H new ATOM 0 HA GLN B 44 -17.906 -3.539 -2.020 1.00 1.09 H new ATOM 0 HB2 GLN B 44 -16.327 -4.155 -4.539 1.00 1.22 H new ATOM 0 HB3 GLN B 44 -17.452 -5.288 -3.816 1.00 1.22 H new ATOM 0 HG2 GLN B 44 -19.296 -3.629 -4.037 1.00 1.62 H new ATOM 0 HG3 GLN B 44 -18.180 -2.456 -4.707 1.00 1.62 H new ATOM 0 HE21 GLN B 44 -18.664 -6.005 -5.331 1.00 3.11 H new ATOM 0 HE22 GLN B 44 -18.936 -5.821 -7.067 1.00 3.11 H new ATOM 2340 N GLN B 45 -14.718 -4.526 -2.072 1.00 0.97 N ATOM 2341 CA GLN B 45 -13.770 -5.472 -1.489 1.00 0.96 C ATOM 2342 C GLN B 45 -13.608 -5.332 0.019 1.00 0.94 C ATOM 2343 O GLN B 45 -13.283 -6.330 0.670 1.00 1.02 O ATOM 2344 CB GLN B 45 -12.384 -5.347 -2.120 1.00 1.00 C ATOM 2345 CG GLN B 45 -12.235 -6.277 -3.332 1.00 0.91 C ATOM 2346 CD GLN B 45 -13.192 -5.934 -4.466 1.00 1.09 C ATOM 2347 OE1 GLN B 45 -12.708 -5.205 -5.463 1.00 2.59 O flip ATOM 2348 NE2 GLN B 45 -14.352 -6.329 -4.463 1.00 1.79 N flip ATOM 0 H GLN B 45 -14.303 -3.888 -2.752 1.00 0.97 H new ATOM 0 HA GLN B 45 -14.204 -6.449 -1.701 1.00 0.96 H new ATOM 0 HB2 GLN B 45 -12.214 -4.315 -2.428 1.00 1.00 H new ATOM 0 HB3 GLN B 45 -11.622 -5.588 -1.379 1.00 1.00 H new ATOM 0 HG2 GLN B 45 -11.210 -6.224 -3.700 1.00 0.91 H new ATOM 0 HG3 GLN B 45 -12.408 -7.306 -3.017 1.00 0.91 H new ATOM 0 HE21 GLN B 45 -14.698 -6.888 -3.683 1.00 1.79 H new ATOM 0 HE22 GLN B 45 -14.971 -6.099 -5.240 1.00 1.79 H new ATOM 2357 N LEU B 46 -13.769 -4.116 0.550 1.00 0.88 N ATOM 2358 CA LEU B 46 -13.624 -3.839 1.974 1.00 0.86 C ATOM 2359 C LEU B 46 -15.000 -3.600 2.626 1.00 0.84 C ATOM 2360 O LEU B 46 -15.250 -2.500 3.118 1.00 0.92 O ATOM 2361 CB LEU B 46 -12.707 -2.611 2.165 1.00 0.90 C ATOM 2362 CG LEU B 46 -11.259 -2.718 1.634 1.00 0.94 C ATOM 2363 CD1 LEU B 46 -11.107 -2.341 0.159 1.00 1.13 C ATOM 2364 CD2 LEU B 46 -10.371 -1.779 2.459 1.00 1.44 C ATOM 0 H LEU B 46 -14.005 -3.293 -0.004 1.00 0.88 H new ATOM 0 HA LEU B 46 -13.172 -4.702 2.462 1.00 0.86 H new ATOM 0 HB2 LEU B 46 -13.181 -1.757 1.681 1.00 0.90 H new ATOM 0 HB3 LEU B 46 -12.660 -2.388 3.231 1.00 0.90 H new ATOM 0 HG LEU B 46 -10.968 -3.764 1.727 1.00 0.94 H new ATOM 0 HD11 LEU B 46 -10.063 -2.442 -0.137 1.00 1.13 H new ATOM 0 HD12 LEU B 46 -11.722 -3.002 -0.451 1.00 1.13 H new ATOM 0 HD13 LEU B 46 -11.427 -1.310 0.012 1.00 1.13 H new ATOM 0 HD21 LEU B 46 -9.344 -1.840 2.099 1.00 1.44 H new ATOM 0 HD22 LEU B 46 -10.731 -0.755 2.357 1.00 1.44 H new ATOM 0 HD23 LEU B 46 -10.406 -2.073 3.508 1.00 1.44 H new ATOM 2376 N PRO B 47 -15.920 -4.581 2.688 1.00 0.85 N ATOM 2377 CA PRO B 47 -17.329 -4.314 2.963 1.00 0.88 C ATOM 2378 C PRO B 47 -17.643 -4.139 4.458 1.00 1.03 C ATOM 2379 O PRO B 47 -18.750 -4.477 4.882 1.00 1.25 O ATOM 2380 CB PRO B 47 -18.052 -5.524 2.368 1.00 1.08 C ATOM 2381 CG PRO B 47 -17.085 -6.651 2.706 1.00 1.13 C ATOM 2382 CD PRO B 47 -15.747 -5.994 2.383 1.00 0.95 C ATOM 0 HA PRO B 47 -17.647 -3.366 2.528 1.00 0.88 H new ATOM 0 HB2 PRO B 47 -19.033 -5.677 2.817 1.00 1.08 H new ATOM 0 HB3 PRO B 47 -18.205 -5.423 1.294 1.00 1.08 H new ATOM 0 HG2 PRO B 47 -17.154 -6.954 3.751 1.00 1.13 H new ATOM 0 HG3 PRO B 47 -17.263 -7.542 2.103 1.00 1.13 H new ATOM 0 HD2 PRO B 47 -14.944 -6.428 2.978 1.00 0.95 H new ATOM 0 HD3 PRO B 47 -15.482 -6.139 1.336 1.00 0.95 H new ATOM 2390 N HIS B 48 -16.707 -3.606 5.255 1.00 1.21 N ATOM 2391 CA HIS B 48 -16.876 -3.370 6.687 1.00 1.42 C ATOM 2392 C HIS B 48 -17.990 -2.328 6.863 1.00 1.63 C ATOM 2393 O HIS B 48 -19.095 -2.670 7.283 1.00 2.55 O ATOM 2394 CB HIS B 48 -15.524 -2.924 7.278 1.00 1.69 C ATOM 2395 CG HIS B 48 -15.465 -2.610 8.762 1.00 2.44 C ATOM 2396 ND1 HIS B 48 -16.376 -1.911 9.513 1.00 2.86 N flip ATOM 2397 CD2 HIS B 48 -14.350 -2.772 9.552 1.00 3.98 C flip ATOM 2398 CE1 HIS B 48 -15.801 -1.608 10.747 1.00 3.80 C flip ATOM 2399 NE2 HIS B 48 -14.581 -2.161 10.728 1.00 4.47 N flip ATOM 0 H HIS B 48 -15.791 -3.322 4.909 1.00 1.21 H new ATOM 0 HA HIS B 48 -17.174 -4.270 7.225 1.00 1.42 H new ATOM 0 HB2 HIS B 48 -14.795 -3.708 7.073 1.00 1.69 H new ATOM 0 HB3 HIS B 48 -15.199 -2.036 6.735 1.00 1.69 H new ATOM 0 HD2 HIS B 48 -13.448 -3.298 9.276 1.00 3.98 H new ATOM 0 HE1 HIS B 48 -16.247 -1.044 11.552 1.00 3.80 H new ATOM 0 HE2 HIS B 48 -13.917 -2.124 11.501 1.00 4.47 H new ATOM 2407 N LEU B 49 -17.689 -1.060 6.537 1.00 1.41 N ATOM 2408 CA LEU B 49 -18.597 0.085 6.656 1.00 1.55 C ATOM 2409 C LEU B 49 -18.460 1.018 5.451 1.00 1.41 C ATOM 2410 O LEU B 49 -19.468 1.424 4.881 1.00 1.63 O ATOM 2411 CB LEU B 49 -18.338 0.887 7.952 1.00 1.74 C ATOM 2412 CG LEU B 49 -19.611 1.098 8.790 1.00 1.95 C ATOM 2413 CD1 LEU B 49 -20.065 -0.194 9.479 1.00 2.38 C ATOM 2414 CD2 LEU B 49 -19.358 2.157 9.868 1.00 2.67 C ATOM 0 H LEU B 49 -16.774 -0.799 6.171 1.00 1.41 H new ATOM 0 HA LEU B 49 -19.610 -0.317 6.691 1.00 1.55 H new ATOM 0 HB2 LEU B 49 -17.595 0.364 8.554 1.00 1.74 H new ATOM 0 HB3 LEU B 49 -17.914 1.857 7.694 1.00 1.74 H new ATOM 0 HG LEU B 49 -20.395 1.423 8.105 1.00 1.95 H new ATOM 0 HD11 LEU B 49 -20.967 0.001 10.060 1.00 2.38 H new ATOM 0 HD12 LEU B 49 -20.275 -0.953 8.726 1.00 2.38 H new ATOM 0 HD13 LEU B 49 -19.276 -0.549 10.142 1.00 2.38 H new ATOM 0 HD21 LEU B 49 -20.264 2.300 10.457 1.00 2.67 H new ATOM 0 HD22 LEU B 49 -18.550 1.826 10.520 1.00 2.67 H new ATOM 0 HD23 LEU B 49 -19.080 3.099 9.395 1.00 2.67 H new ATOM 2426 N LEU B 50 -17.219 1.388 5.108 1.00 1.21 N ATOM 2427 CA LEU B 50 -16.895 2.398 4.100 1.00 1.26 C ATOM 2428 C LEU B 50 -17.382 3.759 4.597 1.00 1.25 C ATOM 2429 O LEU B 50 -18.140 4.463 3.935 1.00 1.54 O ATOM 2430 CB LEU B 50 -17.443 2.064 2.701 1.00 1.64 C ATOM 2431 CG LEU B 50 -16.982 0.731 2.090 1.00 1.62 C ATOM 2432 CD1 LEU B 50 -15.460 0.558 2.118 1.00 3.21 C ATOM 2433 CD2 LEU B 50 -17.685 -0.496 2.673 1.00 2.33 C ATOM 0 H LEU B 50 -16.390 0.979 5.539 1.00 1.21 H new ATOM 0 HA LEU B 50 -15.813 2.418 3.973 1.00 1.26 H new ATOM 0 HB2 LEU B 50 -18.532 2.059 2.752 1.00 1.64 H new ATOM 0 HB3 LEU B 50 -17.160 2.868 2.022 1.00 1.64 H new ATOM 0 HG LEU B 50 -17.288 0.794 1.046 1.00 1.62 H new ATOM 0 HD11 LEU B 50 -15.195 -0.401 1.673 1.00 3.21 H new ATOM 0 HD12 LEU B 50 -14.992 1.363 1.551 1.00 3.21 H new ATOM 0 HD13 LEU B 50 -15.109 0.589 3.150 1.00 3.21 H new ATOM 0 HD21 LEU B 50 -17.305 -1.397 2.191 1.00 2.33 H new ATOM 0 HD22 LEU B 50 -17.493 -0.550 3.745 1.00 2.33 H new ATOM 0 HD23 LEU B 50 -18.758 -0.417 2.500 1.00 2.33 H new ATOM 2445 N LYS B 51 -16.955 4.105 5.813 1.00 1.04 N ATOM 2446 CA LYS B 51 -17.392 5.313 6.492 1.00 1.06 C ATOM 2447 C LYS B 51 -16.794 6.565 5.850 1.00 1.07 C ATOM 2448 O LYS B 51 -17.405 7.625 5.936 1.00 1.22 O ATOM 2449 CB LYS B 51 -17.038 5.217 7.983 1.00 1.06 C ATOM 2450 CG LYS B 51 -15.525 5.277 8.247 1.00 1.09 C ATOM 2451 CD LYS B 51 -15.007 6.708 8.490 1.00 1.41 C ATOM 2452 CE LYS B 51 -14.985 7.116 9.970 1.00 1.64 C ATOM 2453 NZ LYS B 51 -16.340 7.395 10.486 1.00 2.84 N ATOM 0 H LYS B 51 -16.293 3.548 6.352 1.00 1.04 H new ATOM 0 HA LYS B 51 -18.474 5.401 6.394 1.00 1.06 H new ATOM 0 HB2 LYS B 51 -17.527 6.030 8.520 1.00 1.06 H new ATOM 0 HB3 LYS B 51 -17.435 4.285 8.386 1.00 1.06 H new ATOM 0 HG2 LYS B 51 -15.289 4.660 9.114 1.00 1.09 H new ATOM 0 HG3 LYS B 51 -14.997 4.846 7.396 1.00 1.09 H new ATOM 0 HD2 LYS B 51 -13.999 6.793 8.084 1.00 1.41 H new ATOM 0 HD3 LYS B 51 -15.633 7.410 7.939 1.00 1.41 H new ATOM 0 HE2 LYS B 51 -14.529 6.320 10.559 1.00 1.64 H new ATOM 0 HE3 LYS B 51 -14.361 8.001 10.093 1.00 1.64 H new ATOM 0 HZ1 LYS B 51 -16.271 7.796 11.443 1.00 2.84 H new ATOM 0 HZ2 LYS B 51 -16.817 8.075 9.860 1.00 2.84 H new ATOM 0 HZ3 LYS B 51 -16.888 6.511 10.519 1.00 2.84 H new ATOM 2467 N ASP B 52 -15.565 6.437 5.330 1.00 1.01 N ATOM 2468 CA ASP B 52 -14.797 7.430 4.598 1.00 1.10 C ATOM 2469 C ASP B 52 -15.104 8.879 4.955 1.00 1.11 C ATOM 2470 O ASP B 52 -15.945 9.514 4.324 1.00 1.30 O ATOM 2471 CB ASP B 52 -14.805 7.118 3.097 1.00 1.45 C ATOM 2472 CG ASP B 52 -13.868 5.962 2.776 1.00 2.05 C ATOM 2473 OD1 ASP B 52 -14.027 4.912 3.440 1.00 2.66 O ATOM 2474 OD2 ASP B 52 -12.975 6.175 1.919 1.00 3.14 O ATOM 0 H ASP B 52 -15.049 5.562 5.423 1.00 1.01 H new ATOM 0 HA ASP B 52 -13.765 7.340 4.936 1.00 1.10 H new ATOM 0 HB2 ASP B 52 -15.817 6.869 2.779 1.00 1.45 H new ATOM 0 HB3 ASP B 52 -14.503 8.002 2.536 1.00 1.45 H new ATOM 2479 N VAL B 53 -14.365 9.425 5.928 1.00 1.12 N ATOM 2480 CA VAL B 53 -14.277 10.859 6.111 1.00 1.23 C ATOM 2481 C VAL B 53 -12.836 11.268 6.409 1.00 1.35 C ATOM 2482 O VAL B 53 -12.114 10.543 7.089 1.00 1.88 O ATOM 2483 CB VAL B 53 -15.314 11.350 7.134 1.00 1.70 C ATOM 2484 CG1 VAL B 53 -15.057 10.804 8.543 1.00 2.61 C ATOM 2485 CG2 VAL B 53 -15.367 12.880 7.174 1.00 2.87 C ATOM 0 H VAL B 53 -13.820 8.883 6.599 1.00 1.12 H new ATOM 0 HA VAL B 53 -14.540 11.368 5.184 1.00 1.23 H new ATOM 0 HB VAL B 53 -16.277 10.964 6.800 1.00 1.70 H new ATOM 0 HG11 VAL B 53 -15.819 11.183 9.224 1.00 2.61 H new ATOM 0 HG12 VAL B 53 -15.096 9.715 8.524 1.00 2.61 H new ATOM 0 HG13 VAL B 53 -14.073 11.126 8.884 1.00 2.61 H new ATOM 0 HG21 VAL B 53 -16.109 13.199 7.906 1.00 2.87 H new ATOM 0 HG22 VAL B 53 -14.389 13.271 7.454 1.00 2.87 H new ATOM 0 HG23 VAL B 53 -15.641 13.260 6.190 1.00 2.87 H new ATOM 2495 N GLY B 54 -12.425 12.409 5.846 1.00 1.39 N ATOM 2496 CA GLY B 54 -11.072 12.930 5.889 1.00 1.71 C ATOM 2497 C GLY B 54 -10.512 12.965 4.470 1.00 1.41 C ATOM 2498 O GLY B 54 -10.911 13.801 3.666 1.00 1.54 O ATOM 0 H GLY B 54 -13.061 13.015 5.327 1.00 1.39 H new ATOM 0 HA2 GLY B 54 -11.067 13.931 6.321 1.00 1.71 H new ATOM 0 HA3 GLY B 54 -10.447 12.304 6.526 1.00 1.71 H new ATOM 2502 N SER B 55 -9.645 12.007 4.141 1.00 1.31 N ATOM 2503 CA SER B 55 -9.037 11.855 2.825 1.00 1.25 C ATOM 2504 C SER B 55 -10.077 11.395 1.812 1.00 1.09 C ATOM 2505 O SER B 55 -9.819 11.444 0.618 1.00 1.14 O ATOM 2506 CB SER B 55 -7.770 10.997 2.842 1.00 1.55 C ATOM 2507 OG SER B 55 -6.789 11.609 3.662 1.00 1.95 O ATOM 0 H SER B 55 -9.339 11.296 4.805 1.00 1.31 H new ATOM 0 HA SER B 55 -8.685 12.835 2.503 1.00 1.25 H new ATOM 0 HB2 SER B 55 -8.000 9.999 3.216 1.00 1.55 H new ATOM 0 HB3 SER B 55 -7.387 10.877 1.829 1.00 1.55 H new ATOM 0 HG SER B 55 -6.228 12.199 3.116 1.00 1.95 H new ATOM 2513 N LEU B 56 -11.260 10.959 2.271 1.00 1.03 N ATOM 2514 CA LEU B 56 -12.459 10.961 1.444 1.00 1.02 C ATOM 2515 C LEU B 56 -12.467 12.193 0.553 1.00 1.07 C ATOM 2516 O LEU B 56 -12.690 12.051 -0.640 1.00 1.00 O ATOM 2517 CB LEU B 56 -13.702 11.004 2.339 1.00 1.35 C ATOM 2518 CG LEU B 56 -15.061 11.168 1.620 1.00 1.71 C ATOM 2519 CD1 LEU B 56 -15.408 12.595 1.171 1.00 2.32 C ATOM 2520 CD2 LEU B 56 -15.273 10.180 0.465 1.00 2.27 C ATOM 0 H LEU B 56 -11.404 10.601 3.215 1.00 1.03 H new ATOM 0 HA LEU B 56 -12.466 10.058 0.834 1.00 1.02 H new ATOM 0 HB2 LEU B 56 -13.734 10.085 2.924 1.00 1.35 H new ATOM 0 HB3 LEU B 56 -13.587 11.827 3.044 1.00 1.35 H new ATOM 0 HG LEU B 56 -15.766 10.922 2.414 1.00 1.71 H new ATOM 0 HD11 LEU B 56 -16.381 12.595 0.679 1.00 2.32 H new ATOM 0 HD12 LEU B 56 -15.441 13.252 2.040 1.00 2.32 H new ATOM 0 HD13 LEU B 56 -14.649 12.952 0.475 1.00 2.32 H new ATOM 0 HD21 LEU B 56 -16.248 10.356 0.010 1.00 2.27 H new ATOM 0 HD22 LEU B 56 -14.492 10.321 -0.283 1.00 2.27 H new ATOM 0 HD23 LEU B 56 -15.230 9.160 0.846 1.00 2.27 H new ATOM 2532 N ASP B 57 -12.212 13.379 1.114 1.00 1.34 N ATOM 2533 CA ASP B 57 -12.204 14.600 0.316 1.00 1.49 C ATOM 2534 C ASP B 57 -11.227 14.465 -0.863 1.00 1.27 C ATOM 2535 O ASP B 57 -11.657 14.422 -2.019 1.00 1.20 O ATOM 2536 CB ASP B 57 -11.850 15.791 1.214 1.00 1.95 C ATOM 2537 CG ASP B 57 -11.642 17.051 0.397 1.00 3.02 C ATOM 2538 OD1 ASP B 57 -12.621 17.561 -0.190 1.00 3.39 O ATOM 2539 OD2 ASP B 57 -10.482 17.508 0.285 1.00 4.29 O ATOM 0 H ASP B 57 -12.011 13.515 2.105 1.00 1.34 H new ATOM 0 HA ASP B 57 -13.195 14.770 -0.105 1.00 1.49 H new ATOM 0 HB2 ASP B 57 -12.647 15.952 1.940 1.00 1.95 H new ATOM 0 HB3 ASP B 57 -10.945 15.567 1.779 1.00 1.95 H new ATOM 2544 N GLU B 58 -9.930 14.311 -0.562 1.00 1.32 N ATOM 2545 CA GLU B 58 -8.865 14.031 -1.522 1.00 1.32 C ATOM 2546 C GLU B 58 -9.318 13.019 -2.576 1.00 1.02 C ATOM 2547 O GLU B 58 -9.208 13.271 -3.772 1.00 1.12 O ATOM 2548 CB GLU B 58 -7.605 13.501 -0.816 1.00 1.53 C ATOM 2549 CG GLU B 58 -6.994 14.463 0.209 1.00 1.74 C ATOM 2550 CD GLU B 58 -5.708 13.871 0.773 1.00 3.44 C ATOM 2551 OE1 GLU B 58 -4.673 13.974 0.072 1.00 4.31 O ATOM 2552 OE2 GLU B 58 -5.787 13.279 1.873 1.00 4.51 O ATOM 0 H GLU B 58 -9.586 14.382 0.396 1.00 1.32 H new ATOM 0 HA GLU B 58 -8.627 14.973 -2.016 1.00 1.32 H new ATOM 0 HB2 GLU B 58 -7.852 12.566 -0.314 1.00 1.53 H new ATOM 0 HB3 GLU B 58 -6.853 13.269 -1.570 1.00 1.53 H new ATOM 0 HG2 GLU B 58 -6.787 15.425 -0.260 1.00 1.74 H new ATOM 0 HG3 GLU B 58 -7.704 14.648 1.015 1.00 1.74 H new ATOM 2559 N LYS B 59 -9.825 11.873 -2.127 1.00 0.79 N ATOM 2560 CA LYS B 59 -10.226 10.767 -2.974 1.00 0.73 C ATOM 2561 C LYS B 59 -11.361 11.201 -3.899 1.00 0.72 C ATOM 2562 O LYS B 59 -11.198 11.218 -5.114 1.00 0.79 O ATOM 2563 CB LYS B 59 -10.568 9.548 -2.085 1.00 0.73 C ATOM 2564 CG LYS B 59 -9.388 8.574 -2.143 1.00 0.96 C ATOM 2565 CD LYS B 59 -9.130 7.601 -0.983 1.00 1.14 C ATOM 2566 CE LYS B 59 -10.297 6.782 -0.433 1.00 1.54 C ATOM 2567 NZ LYS B 59 -10.896 7.379 0.792 1.00 1.80 N ATOM 0 H LYS B 59 -9.970 11.689 -1.134 1.00 0.79 H new ATOM 0 HA LYS B 59 -9.411 10.460 -3.630 1.00 0.73 H new ATOM 0 HB2 LYS B 59 -10.751 9.865 -1.058 1.00 0.73 H new ATOM 0 HB3 LYS B 59 -11.479 9.064 -2.436 1.00 0.73 H new ATOM 0 HG2 LYS B 59 -9.507 7.975 -3.046 1.00 0.96 H new ATOM 0 HG3 LYS B 59 -8.484 9.169 -2.272 1.00 0.96 H new ATOM 0 HD2 LYS B 59 -8.359 6.901 -1.305 1.00 1.14 H new ATOM 0 HD3 LYS B 59 -8.713 8.177 -0.157 1.00 1.14 H new ATOM 0 HE2 LYS B 59 -11.066 6.693 -1.201 1.00 1.54 H new ATOM 0 HE3 LYS B 59 -9.952 5.773 -0.208 1.00 1.54 H new ATOM 0 HZ1 LYS B 59 -11.564 6.704 1.216 1.00 1.80 H new ATOM 0 HZ2 LYS B 59 -10.143 7.597 1.476 1.00 1.80 H new ATOM 0 HZ3 LYS B 59 -11.400 8.253 0.541 1.00 1.80 H new ATOM 2581 N MET B 60 -12.495 11.594 -3.332 1.00 0.72 N ATOM 2582 CA MET B 60 -13.663 12.039 -4.070 1.00 0.80 C ATOM 2583 C MET B 60 -13.267 13.042 -5.154 1.00 0.80 C ATOM 2584 O MET B 60 -13.548 12.801 -6.327 1.00 0.84 O ATOM 2585 CB MET B 60 -14.705 12.607 -3.098 1.00 0.94 C ATOM 2586 CG MET B 60 -16.012 12.960 -3.816 1.00 1.13 C ATOM 2587 SD MET B 60 -17.356 13.455 -2.710 1.00 2.41 S ATOM 2588 CE MET B 60 -18.662 13.738 -3.925 1.00 2.77 C ATOM 0 H MET B 60 -12.628 11.611 -2.321 1.00 0.72 H new ATOM 0 HA MET B 60 -14.117 11.190 -4.581 1.00 0.80 H new ATOM 0 HB2 MET B 60 -14.906 11.879 -2.312 1.00 0.94 H new ATOM 0 HB3 MET B 60 -14.304 13.497 -2.613 1.00 0.94 H new ATOM 0 HG2 MET B 60 -15.819 13.769 -4.520 1.00 1.13 H new ATOM 0 HG3 MET B 60 -16.336 12.099 -4.401 1.00 1.13 H new ATOM 0 HE1 MET B 60 -19.572 14.053 -3.414 1.00 2.77 H new ATOM 0 HE2 MET B 60 -18.349 14.516 -4.621 1.00 2.77 H new ATOM 0 HE3 MET B 60 -18.854 12.816 -4.474 1.00 2.77 H new ATOM 2598 N LYS B 61 -12.598 14.141 -4.782 1.00 0.82 N ATOM 2599 CA LYS B 61 -12.247 15.149 -5.779 1.00 0.91 C ATOM 2600 C LYS B 61 -11.224 14.602 -6.782 1.00 0.90 C ATOM 2601 O LYS B 61 -11.371 14.799 -7.985 1.00 0.97 O ATOM 2602 CB LYS B 61 -11.847 16.490 -5.144 1.00 1.08 C ATOM 2603 CG LYS B 61 -10.584 16.424 -4.276 1.00 1.55 C ATOM 2604 CD LYS B 61 -10.801 17.079 -2.911 1.00 1.46 C ATOM 2605 CE LYS B 61 -10.775 18.606 -2.923 1.00 2.00 C ATOM 2606 NZ LYS B 61 -11.137 19.132 -1.593 1.00 2.21 N ATOM 0 H LYS B 61 -12.299 14.348 -3.829 1.00 0.82 H new ATOM 0 HA LYS B 61 -13.144 15.376 -6.356 1.00 0.91 H new ATOM 0 HB2 LYS B 61 -11.692 17.222 -5.936 1.00 1.08 H new ATOM 0 HB3 LYS B 61 -12.675 16.851 -4.534 1.00 1.08 H new ATOM 0 HG2 LYS B 61 -10.291 15.383 -4.138 1.00 1.55 H new ATOM 0 HG3 LYS B 61 -9.762 16.921 -4.791 1.00 1.55 H new ATOM 0 HD2 LYS B 61 -11.761 16.749 -2.514 1.00 1.46 H new ATOM 0 HD3 LYS B 61 -10.032 16.722 -2.226 1.00 1.46 H new ATOM 0 HE2 LYS B 61 -9.782 18.958 -3.203 1.00 2.00 H new ATOM 0 HE3 LYS B 61 -11.470 18.983 -3.673 1.00 2.00 H new ATOM 0 HZ1 LYS B 61 -11.166 20.171 -1.627 1.00 2.21 H new ATOM 0 HZ2 LYS B 61 -12.072 18.769 -1.319 1.00 2.21 H new ATOM 0 HZ3 LYS B 61 -10.429 18.828 -0.895 1.00 2.21 H new ATOM 2620 N SER B 62 -10.196 13.893 -6.303 1.00 0.87 N ATOM 2621 CA SER B 62 -9.192 13.283 -7.173 1.00 0.91 C ATOM 2622 C SER B 62 -9.855 12.430 -8.258 1.00 0.90 C ATOM 2623 O SER B 62 -9.495 12.553 -9.429 1.00 1.04 O ATOM 2624 CB SER B 62 -8.176 12.471 -6.357 1.00 0.94 C ATOM 2625 OG SER B 62 -7.206 11.868 -7.190 1.00 1.72 O ATOM 0 H SER B 62 -10.039 13.728 -5.309 1.00 0.87 H new ATOM 0 HA SER B 62 -8.644 14.082 -7.673 1.00 0.91 H new ATOM 0 HB2 SER B 62 -7.683 13.123 -5.636 1.00 0.94 H new ATOM 0 HB3 SER B 62 -8.697 11.701 -5.787 1.00 0.94 H new ATOM 0 HG SER B 62 -6.573 11.360 -6.641 1.00 1.72 H new ATOM 2631 N LEU B 63 -10.824 11.583 -7.888 1.00 0.83 N ATOM 2632 CA LEU B 63 -11.539 10.801 -8.885 1.00 0.88 C ATOM 2633 C LEU B 63 -12.353 11.765 -9.756 1.00 0.93 C ATOM 2634 O LEU B 63 -12.136 11.804 -10.964 1.00 0.98 O ATOM 2635 CB LEU B 63 -12.378 9.651 -8.281 1.00 0.92 C ATOM 2636 CG LEU B 63 -11.624 8.529 -7.536 1.00 0.96 C ATOM 2637 CD1 LEU B 63 -10.187 8.814 -7.070 1.00 1.00 C ATOM 2638 CD2 LEU B 63 -12.435 8.141 -6.297 1.00 1.26 C ATOM 0 H LEU B 63 -11.121 11.428 -6.925 1.00 0.83 H new ATOM 0 HA LEU B 63 -10.818 10.278 -9.514 1.00 0.88 H new ATOM 0 HB2 LEU B 63 -13.098 10.088 -7.589 1.00 0.92 H new ATOM 0 HB3 LEU B 63 -12.949 9.193 -9.088 1.00 0.92 H new ATOM 0 HG LEU B 63 -11.525 7.744 -8.286 1.00 0.96 H new ATOM 0 HD11 LEU B 63 -9.788 7.935 -6.563 1.00 1.00 H new ATOM 0 HD12 LEU B 63 -9.564 9.049 -7.933 1.00 1.00 H new ATOM 0 HD13 LEU B 63 -10.188 9.660 -6.382 1.00 1.00 H new ATOM 0 HD21 LEU B 63 -11.917 7.348 -5.757 1.00 1.26 H new ATOM 0 HD22 LEU B 63 -12.546 9.010 -5.648 1.00 1.26 H new ATOM 0 HD23 LEU B 63 -13.420 7.788 -6.603 1.00 1.26 H new ATOM 2650 N ASP B 64 -13.240 12.565 -9.152 1.00 0.97 N ATOM 2651 CA ASP B 64 -14.132 13.492 -9.854 1.00 1.05 C ATOM 2652 C ASP B 64 -13.439 14.206 -11.023 1.00 1.06 C ATOM 2653 O ASP B 64 -13.925 14.173 -12.155 1.00 1.15 O ATOM 2654 CB ASP B 64 -14.698 14.505 -8.852 1.00 1.08 C ATOM 2655 CG ASP B 64 -15.666 15.472 -9.512 1.00 1.20 C ATOM 2656 OD1 ASP B 64 -16.867 15.127 -9.559 1.00 1.94 O ATOM 2657 OD2 ASP B 64 -15.192 16.551 -9.925 1.00 1.38 O ATOM 0 H ASP B 64 -13.359 12.585 -8.139 1.00 0.97 H new ATOM 0 HA ASP B 64 -14.945 12.912 -10.291 1.00 1.05 H new ATOM 0 HB2 ASP B 64 -15.207 13.974 -8.047 1.00 1.08 H new ATOM 0 HB3 ASP B 64 -13.879 15.063 -8.398 1.00 1.08 H new ATOM 2662 N VAL B 65 -12.274 14.802 -10.736 1.00 1.01 N ATOM 2663 CA VAL B 65 -11.458 15.564 -11.679 1.00 1.04 C ATOM 2664 C VAL B 65 -11.333 14.845 -13.023 1.00 1.07 C ATOM 2665 O VAL B 65 -11.896 15.296 -14.017 1.00 1.24 O ATOM 2666 CB VAL B 65 -10.081 15.849 -11.047 1.00 1.06 C ATOM 2667 CG1 VAL B 65 -9.014 16.332 -12.038 1.00 1.46 C ATOM 2668 CG2 VAL B 65 -10.235 16.936 -9.988 1.00 1.56 C ATOM 0 H VAL B 65 -11.862 14.763 -9.804 1.00 1.01 H new ATOM 0 HA VAL B 65 -11.949 16.515 -11.887 1.00 1.04 H new ATOM 0 HB VAL B 65 -9.743 14.897 -10.638 1.00 1.06 H new ATOM 0 HG11 VAL B 65 -8.078 16.508 -11.508 1.00 1.46 H new ATOM 0 HG12 VAL B 65 -8.860 15.573 -12.805 1.00 1.46 H new ATOM 0 HG13 VAL B 65 -9.345 17.259 -12.506 1.00 1.46 H new ATOM 0 HG21 VAL B 65 -9.265 17.144 -9.536 1.00 1.56 H new ATOM 0 HG22 VAL B 65 -10.621 17.844 -10.452 1.00 1.56 H new ATOM 0 HG23 VAL B 65 -10.929 16.598 -9.218 1.00 1.56 H new ATOM 2678 N ASN B 66 -10.558 13.761 -13.054 1.00 0.98 N ATOM 2679 CA ASN B 66 -10.364 12.956 -14.267 1.00 1.04 C ATOM 2680 C ASN B 66 -10.033 11.502 -13.908 1.00 1.14 C ATOM 2681 O ASN B 66 -8.991 10.970 -14.290 1.00 1.17 O ATOM 2682 CB ASN B 66 -9.286 13.544 -15.200 1.00 0.99 C ATOM 2683 CG ASN B 66 -9.627 14.898 -15.818 1.00 1.33 C ATOM 2684 OD1 ASN B 66 -8.967 15.964 -15.371 1.00 2.23 O flip ATOM 2685 ND2 ASN B 66 -10.443 14.998 -16.727 1.00 2.27 N flip ATOM 0 H ASN B 66 -10.047 13.414 -12.243 1.00 0.98 H new ATOM 0 HA ASN B 66 -11.306 12.978 -14.815 1.00 1.04 H new ATOM 0 HB2 ASN B 66 -8.357 13.643 -14.638 1.00 0.99 H new ATOM 0 HB3 ASN B 66 -9.098 12.833 -16.004 1.00 0.99 H new ATOM 0 HD21 ASN B 66 -10.941 14.172 -17.059 1.00 2.27 H new ATOM 0 HD22 ASN B 66 -10.624 15.907 -17.152 1.00 2.27 H new ATOM 2692 N GLN B 67 -10.939 10.844 -13.185 1.00 1.30 N ATOM 2693 CA GLN B 67 -10.910 9.442 -12.796 1.00 1.39 C ATOM 2694 C GLN B 67 -10.484 8.503 -13.932 1.00 1.61 C ATOM 2695 O GLN B 67 -9.799 7.499 -13.745 1.00 1.80 O ATOM 2696 CB GLN B 67 -12.312 9.052 -12.299 1.00 1.36 C ATOM 2697 CG GLN B 67 -13.506 9.465 -13.195 1.00 1.48 C ATOM 2698 CD GLN B 67 -14.001 10.893 -13.010 1.00 2.04 C ATOM 2699 OE1 GLN B 67 -14.750 11.153 -12.074 1.00 2.95 O ATOM 2700 NE2 GLN B 67 -13.615 11.812 -13.893 1.00 2.74 N ATOM 0 H GLN B 67 -11.772 11.315 -12.832 1.00 1.30 H new ATOM 0 HA GLN B 67 -10.161 9.330 -12.012 1.00 1.39 H new ATOM 0 HB2 GLN B 67 -12.340 7.970 -12.172 1.00 1.36 H new ATOM 0 HB3 GLN B 67 -12.458 9.492 -11.313 1.00 1.36 H new ATOM 0 HG2 GLN B 67 -13.219 9.331 -14.238 1.00 1.48 H new ATOM 0 HG3 GLN B 67 -14.335 8.784 -13.003 1.00 1.48 H new ATOM 0 HE21 GLN B 67 -12.991 11.554 -14.657 1.00 2.74 H new ATOM 0 HE22 GLN B 67 -13.944 12.774 -13.805 1.00 2.74 H new ATOM 2709 N ASP B 68 -10.948 8.858 -15.116 1.00 1.65 N ATOM 2710 CA ASP B 68 -10.737 8.255 -16.412 1.00 1.72 C ATOM 2711 C ASP B 68 -9.259 8.187 -16.832 1.00 1.67 C ATOM 2712 O ASP B 68 -8.929 7.407 -17.724 1.00 1.85 O ATOM 2713 CB ASP B 68 -11.603 9.045 -17.416 1.00 1.63 C ATOM 2714 CG ASP B 68 -11.590 10.556 -17.165 1.00 2.66 C ATOM 2715 OD1 ASP B 68 -12.192 10.956 -16.132 1.00 3.96 O ATOM 2716 OD2 ASP B 68 -10.936 11.264 -17.955 1.00 3.59 O ATOM 0 H ASP B 68 -11.554 9.674 -15.197 1.00 1.65 H new ATOM 0 HA ASP B 68 -11.037 7.208 -16.380 1.00 1.72 H new ATOM 0 HB2 ASP B 68 -11.247 8.848 -18.427 1.00 1.63 H new ATOM 0 HB3 ASP B 68 -12.630 8.683 -17.364 1.00 1.63 H new ATOM 2721 N SER B 69 -8.347 8.930 -16.195 1.00 1.60 N ATOM 2722 CA SER B 69 -6.947 9.052 -16.625 1.00 1.63 C ATOM 2723 C SER B 69 -6.068 7.814 -16.369 1.00 2.00 C ATOM 2724 O SER B 69 -4.872 7.973 -16.127 1.00 3.64 O ATOM 2725 CB SER B 69 -6.316 10.245 -15.898 1.00 1.56 C ATOM 2726 OG SER B 69 -7.042 11.429 -16.144 1.00 2.43 O ATOM 0 H SER B 69 -8.561 9.470 -15.357 1.00 1.60 H new ATOM 0 HA SER B 69 -6.982 9.178 -17.707 1.00 1.63 H new ATOM 0 HB2 SER B 69 -6.287 10.048 -14.826 1.00 1.56 H new ATOM 0 HB3 SER B 69 -5.285 10.372 -16.227 1.00 1.56 H new ATOM 0 HG SER B 69 -7.777 11.502 -15.500 1.00 2.43 H new ATOM 2732 N GLU B 70 -6.625 6.599 -16.415 1.00 0.96 N ATOM 2733 CA GLU B 70 -6.029 5.385 -15.859 1.00 0.97 C ATOM 2734 C GLU B 70 -5.713 5.512 -14.367 1.00 0.88 C ATOM 2735 O GLU B 70 -5.553 6.596 -13.812 1.00 1.27 O ATOM 2736 CB GLU B 70 -4.772 4.917 -16.622 1.00 1.42 C ATOM 2737 CG GLU B 70 -5.139 4.077 -17.845 1.00 1.81 C ATOM 2738 CD GLU B 70 -3.927 3.512 -18.572 1.00 2.52 C ATOM 2739 OE1 GLU B 70 -2.773 3.637 -18.084 1.00 3.40 O ATOM 2740 OE2 GLU B 70 -4.134 2.893 -19.638 1.00 3.05 O ATOM 0 H GLU B 70 -7.530 6.431 -16.854 1.00 0.96 H new ATOM 0 HA GLU B 70 -6.797 4.622 -15.984 1.00 0.97 H new ATOM 0 HB2 GLU B 70 -4.192 5.785 -16.936 1.00 1.42 H new ATOM 0 HB3 GLU B 70 -4.137 4.333 -15.956 1.00 1.42 H new ATOM 0 HG2 GLU B 70 -5.783 3.255 -17.533 1.00 1.81 H new ATOM 0 HG3 GLU B 70 -5.717 4.689 -18.538 1.00 1.81 H new ATOM 2747 N LEU B 71 -5.586 4.354 -13.727 1.00 0.86 N ATOM 2748 CA LEU B 71 -4.947 4.205 -12.435 1.00 1.00 C ATOM 2749 C LEU B 71 -3.598 3.544 -12.689 1.00 0.85 C ATOM 2750 O LEU B 71 -3.429 2.824 -13.679 1.00 0.85 O ATOM 2751 CB LEU B 71 -5.835 3.335 -11.543 1.00 1.37 C ATOM 2752 CG LEU B 71 -5.411 3.297 -10.070 1.00 1.64 C ATOM 2753 CD1 LEU B 71 -5.703 4.620 -9.364 1.00 1.62 C ATOM 2754 CD2 LEU B 71 -6.265 2.230 -9.396 1.00 2.80 C ATOM 0 H LEU B 71 -5.935 3.474 -14.107 1.00 0.86 H new ATOM 0 HA LEU B 71 -4.803 5.160 -11.930 1.00 1.00 H new ATOM 0 HB2 LEU B 71 -6.860 3.701 -11.604 1.00 1.37 H new ATOM 0 HB3 LEU B 71 -5.836 2.318 -11.934 1.00 1.37 H new ATOM 0 HG LEU B 71 -4.341 3.099 -10.011 1.00 1.64 H new ATOM 0 HD11 LEU B 71 -5.389 4.554 -8.322 1.00 1.62 H new ATOM 0 HD12 LEU B 71 -5.157 5.424 -9.857 1.00 1.62 H new ATOM 0 HD13 LEU B 71 -6.772 4.828 -9.408 1.00 1.62 H new ATOM 0 HD21 LEU B 71 -6.000 2.164 -8.341 1.00 2.80 H new ATOM 0 HD22 LEU B 71 -7.318 2.494 -9.489 1.00 2.80 H new ATOM 0 HD23 LEU B 71 -6.089 1.267 -9.875 1.00 2.80 H new ATOM 2766 N LYS B 72 -2.620 3.793 -11.819 1.00 0.86 N ATOM 2767 CA LYS B 72 -1.336 3.117 -11.834 1.00 0.84 C ATOM 2768 C LYS B 72 -0.948 2.845 -10.377 1.00 0.78 C ATOM 2769 O LYS B 72 -1.694 3.194 -9.452 1.00 0.80 O ATOM 2770 CB LYS B 72 -0.268 3.882 -12.652 1.00 0.88 C ATOM 2771 CG LYS B 72 -0.856 4.881 -13.668 1.00 1.32 C ATOM 2772 CD LYS B 72 0.033 5.210 -14.872 1.00 1.60 C ATOM 2773 CE LYS B 72 0.228 4.016 -15.823 1.00 2.75 C ATOM 2774 NZ LYS B 72 -1.025 3.311 -16.187 1.00 3.78 N ATOM 0 H LYS B 72 -2.705 4.484 -11.073 1.00 0.86 H new ATOM 0 HA LYS B 72 -1.407 2.165 -12.360 1.00 0.84 H new ATOM 0 HB2 LYS B 72 0.385 4.420 -11.965 1.00 0.88 H new ATOM 0 HB3 LYS B 72 0.353 3.161 -13.184 1.00 0.88 H new ATOM 0 HG2 LYS B 72 -1.801 4.481 -14.037 1.00 1.32 H new ATOM 0 HG3 LYS B 72 -1.085 5.810 -13.145 1.00 1.32 H new ATOM 0 HD2 LYS B 72 -0.408 6.039 -15.425 1.00 1.60 H new ATOM 0 HD3 LYS B 72 1.007 5.546 -14.516 1.00 1.60 H new ATOM 0 HE2 LYS B 72 0.710 4.368 -16.735 1.00 2.75 H new ATOM 0 HE3 LYS B 72 0.909 3.304 -15.357 1.00 2.75 H new ATOM 0 HZ1 LYS B 72 -0.794 2.428 -16.686 1.00 3.78 H new ATOM 0 HZ2 LYS B 72 -1.563 3.091 -15.324 1.00 3.78 H new ATOM 0 HZ3 LYS B 72 -1.598 3.919 -16.806 1.00 3.78 H new ATOM 2788 N PHE B 73 0.176 2.150 -10.185 1.00 0.92 N ATOM 2789 CA PHE B 73 0.544 1.551 -8.911 1.00 0.93 C ATOM 2790 C PHE B 73 0.462 2.559 -7.763 1.00 0.76 C ATOM 2791 O PHE B 73 -0.235 2.304 -6.788 1.00 0.63 O ATOM 2792 CB PHE B 73 1.924 0.875 -9.002 1.00 1.32 C ATOM 2793 CG PHE B 73 2.106 0.023 -10.246 1.00 0.84 C ATOM 2794 CD1 PHE B 73 1.480 -1.234 -10.325 1.00 2.45 C ATOM 2795 CD2 PHE B 73 2.759 0.548 -11.377 1.00 1.83 C ATOM 2796 CE1 PHE B 73 1.502 -1.965 -11.525 1.00 3.50 C ATOM 2797 CE2 PHE B 73 2.779 -0.182 -12.578 1.00 2.42 C ATOM 2798 CZ PHE B 73 2.169 -1.445 -12.646 1.00 3.08 C ATOM 0 H PHE B 73 0.861 1.989 -10.923 1.00 0.92 H new ATOM 0 HA PHE B 73 -0.184 0.772 -8.684 1.00 0.93 H new ATOM 0 HB2 PHE B 73 2.697 1.643 -8.982 1.00 1.32 H new ATOM 0 HB3 PHE B 73 2.072 0.251 -8.120 1.00 1.32 H new ATOM 0 HD1 PHE B 73 0.979 -1.640 -9.458 1.00 2.45 H new ATOM 0 HD2 PHE B 73 3.244 1.511 -11.322 1.00 1.83 H new ATOM 0 HE1 PHE B 73 1.008 -2.923 -11.585 1.00 3.50 H new ATOM 0 HE2 PHE B 73 3.265 0.229 -13.451 1.00 2.42 H new ATOM 0 HZ PHE B 73 2.213 -2.017 -13.561 1.00 3.08 H new ATOM 2808 N ASN B 74 1.159 3.696 -7.868 1.00 0.98 N ATOM 2809 CA ASN B 74 1.261 4.675 -6.785 1.00 1.14 C ATOM 2810 C ASN B 74 -0.077 5.360 -6.486 1.00 0.96 C ATOM 2811 O ASN B 74 -0.382 5.608 -5.320 1.00 1.05 O ATOM 2812 CB ASN B 74 2.347 5.714 -7.071 1.00 1.55 C ATOM 2813 CG ASN B 74 2.048 6.462 -8.358 1.00 1.46 C ATOM 2814 OD1 ASN B 74 2.189 5.890 -9.435 1.00 2.77 O ATOM 2815 ND2 ASN B 74 1.685 7.734 -8.292 1.00 2.17 N ATOM 0 H ASN B 74 1.669 3.962 -8.710 1.00 0.98 H new ATOM 0 HA ASN B 74 1.545 4.118 -5.892 1.00 1.14 H new ATOM 0 HB2 ASN B 74 2.411 6.418 -6.242 1.00 1.55 H new ATOM 0 HB3 ASN B 74 3.317 5.222 -7.147 1.00 1.55 H new ATOM 0 HD21 ASN B 74 1.516 8.261 -9.149 1.00 2.17 H new ATOM 0 HD22 ASN B 74 1.575 8.186 -7.385 1.00 2.17 H new ATOM 2822 N GLU B 75 -0.865 5.690 -7.515 1.00 0.82 N ATOM 2823 CA GLU B 75 -2.173 6.306 -7.352 1.00 0.80 C ATOM 2824 C GLU B 75 -3.082 5.350 -6.581 1.00 0.77 C ATOM 2825 O GLU B 75 -3.661 5.733 -5.563 1.00 0.89 O ATOM 2826 CB GLU B 75 -2.793 6.659 -8.713 1.00 0.88 C ATOM 2827 CG GLU B 75 -1.999 7.696 -9.528 1.00 1.16 C ATOM 2828 CD GLU B 75 -0.717 7.147 -10.137 1.00 2.22 C ATOM 2829 OE1 GLU B 75 -0.608 5.902 -10.200 1.00 3.65 O ATOM 2830 OE2 GLU B 75 0.168 7.973 -10.457 1.00 2.68 O ATOM 0 H GLU B 75 -0.605 5.533 -8.489 1.00 0.82 H new ATOM 0 HA GLU B 75 -2.060 7.235 -6.793 1.00 0.80 H new ATOM 0 HB2 GLU B 75 -2.887 5.747 -9.303 1.00 0.88 H new ATOM 0 HB3 GLU B 75 -3.802 7.039 -8.551 1.00 0.88 H new ATOM 0 HG2 GLU B 75 -2.634 8.080 -10.326 1.00 1.16 H new ATOM 0 HG3 GLU B 75 -1.752 8.539 -8.883 1.00 1.16 H new ATOM 2837 N TYR B 76 -3.178 4.097 -7.051 1.00 0.70 N ATOM 2838 CA TYR B 76 -3.877 3.042 -6.319 1.00 0.75 C ATOM 2839 C TYR B 76 -3.393 3.080 -4.874 1.00 0.70 C ATOM 2840 O TYR B 76 -4.184 3.206 -3.938 1.00 0.71 O ATOM 2841 CB TYR B 76 -3.592 1.676 -6.965 1.00 0.82 C ATOM 2842 CG TYR B 76 -4.140 0.465 -6.224 1.00 1.11 C ATOM 2843 CD1 TYR B 76 -3.375 -0.146 -5.211 1.00 1.97 C ATOM 2844 CD2 TYR B 76 -5.307 -0.174 -6.682 1.00 1.84 C ATOM 2845 CE1 TYR B 76 -3.773 -1.381 -4.672 1.00 2.21 C ATOM 2846 CE2 TYR B 76 -5.719 -1.396 -6.126 1.00 2.17 C ATOM 2847 CZ TYR B 76 -4.946 -2.005 -5.127 1.00 1.89 C ATOM 2848 OH TYR B 76 -5.337 -3.203 -4.606 1.00 2.29 O ATOM 0 H TYR B 76 -2.777 3.794 -7.939 1.00 0.70 H new ATOM 0 HA TYR B 76 -4.955 3.198 -6.349 1.00 0.75 H new ATOM 0 HB2 TYR B 76 -4.006 1.679 -7.973 1.00 0.82 H new ATOM 0 HB3 TYR B 76 -2.513 1.560 -7.064 1.00 0.82 H new ATOM 0 HD1 TYR B 76 -2.480 0.336 -4.848 1.00 1.97 H new ATOM 0 HD2 TYR B 76 -5.891 0.280 -7.469 1.00 1.84 H new ATOM 0 HE1 TYR B 76 -3.175 -1.852 -3.906 1.00 2.21 H new ATOM 0 HE2 TYR B 76 -6.630 -1.866 -6.467 1.00 2.17 H new ATOM 0 HH TYR B 76 -6.171 -3.490 -5.034 1.00 2.29 H new ATOM 2858 N TRP B 77 -2.069 3.014 -4.723 1.00 0.63 N ATOM 2859 CA TRP B 77 -1.400 2.991 -3.447 1.00 0.57 C ATOM 2860 C TRP B 77 -1.916 4.066 -2.498 1.00 0.59 C ATOM 2861 O TRP B 77 -2.602 3.746 -1.529 1.00 0.63 O ATOM 2862 CB TRP B 77 0.109 3.087 -3.661 1.00 0.52 C ATOM 2863 CG TRP B 77 0.805 2.122 -2.822 1.00 0.49 C ATOM 2864 CD1 TRP B 77 1.167 2.401 -1.571 1.00 0.48 C ATOM 2865 CD2 TRP B 77 1.280 0.787 -3.124 1.00 0.55 C ATOM 2866 NE1 TRP B 77 1.691 1.269 -1.006 1.00 0.55 N ATOM 2867 CE2 TRP B 77 1.850 0.259 -1.935 1.00 0.59 C ATOM 2868 CE3 TRP B 77 1.388 0.012 -4.297 1.00 0.62 C ATOM 2869 CZ2 TRP B 77 2.461 -0.999 -1.898 1.00 0.70 C ATOM 2870 CZ3 TRP B 77 2.075 -1.213 -4.270 1.00 0.72 C ATOM 2871 CH2 TRP B 77 2.537 -1.751 -3.073 1.00 0.77 C ATOM 0 H TRP B 77 -1.426 2.975 -5.514 1.00 0.63 H new ATOM 0 HA TRP B 77 -1.624 2.042 -2.959 1.00 0.57 H new ATOM 0 HB2 TRP B 77 0.346 2.904 -4.709 1.00 0.52 H new ATOM 0 HB3 TRP B 77 0.452 4.095 -3.428 1.00 0.52 H new ATOM 0 HD1 TRP B 77 1.064 3.359 -1.084 1.00 0.48 H new ATOM 0 HE1 TRP B 77 1.934 1.182 -0.019 1.00 0.55 H new ATOM 0 HE3 TRP B 77 0.942 0.360 -5.217 1.00 0.62 H new ATOM 0 HZ2 TRP B 77 2.868 -1.383 -0.974 1.00 0.70 H new ATOM 0 HZ3 TRP B 77 2.247 -1.746 -5.193 1.00 0.72 H new ATOM 0 HH2 TRP B 77 2.953 -2.747 -3.052 1.00 0.77 H new ATOM 2882 N ARG B 78 -1.605 5.332 -2.780 1.00 0.61 N ATOM 2883 CA ARG B 78 -2.125 6.473 -2.048 1.00 0.67 C ATOM 2884 C ARG B 78 -3.584 6.258 -1.647 1.00 0.78 C ATOM 2885 O ARG B 78 -3.902 6.277 -0.460 1.00 0.88 O ATOM 2886 CB ARG B 78 -2.092 7.692 -2.982 1.00 0.97 C ATOM 2887 CG ARG B 78 -0.755 8.427 -2.917 1.00 1.48 C ATOM 2888 CD ARG B 78 -0.919 9.951 -2.950 1.00 2.09 C ATOM 2889 NE ARG B 78 -1.926 10.458 -1.984 1.00 3.87 N ATOM 2890 CZ ARG B 78 -2.268 11.736 -1.746 1.00 5.16 C ATOM 2891 NH1 ARG B 78 -1.601 12.743 -2.316 1.00 5.22 N ATOM 2892 NH2 ARG B 78 -3.288 11.975 -0.926 1.00 6.88 N ATOM 0 H ARG B 78 -0.973 5.591 -3.538 1.00 0.61 H new ATOM 0 HA ARG B 78 -1.519 6.613 -1.153 1.00 0.67 H new ATOM 0 HB2 ARG B 78 -2.279 7.369 -4.006 1.00 0.97 H new ATOM 0 HB3 ARG B 78 -2.896 8.377 -2.712 1.00 0.97 H new ATOM 0 HG2 ARG B 78 -0.231 8.141 -2.005 1.00 1.48 H new ATOM 0 HG3 ARG B 78 -0.131 8.114 -3.754 1.00 1.48 H new ATOM 0 HD2 ARG B 78 0.043 10.417 -2.738 1.00 2.09 H new ATOM 0 HD3 ARG B 78 -1.206 10.256 -3.956 1.00 2.09 H new ATOM 0 HE ARG B 78 -2.417 9.752 -1.435 1.00 3.87 H new ATOM 0 HH11 ARG B 78 -0.820 12.548 -2.942 1.00 5.22 H new ATOM 0 HH12 ARG B 78 -1.873 13.707 -2.125 1.00 5.22 H new ATOM 0 HH21 ARG B 78 -3.789 11.198 -0.495 1.00 6.88 H new ATOM 0 HH22 ARG B 78 -3.569 12.935 -0.728 1.00 6.88 H new ATOM 2906 N LEU B 79 -4.466 6.042 -2.629 1.00 0.75 N ATOM 2907 CA LEU B 79 -5.890 6.031 -2.345 1.00 0.78 C ATOM 2908 C LEU B 79 -6.246 4.905 -1.369 1.00 0.74 C ATOM 2909 O LEU B 79 -7.079 5.127 -0.492 1.00 0.79 O ATOM 2910 CB LEU B 79 -6.738 5.985 -3.622 1.00 0.85 C ATOM 2911 CG LEU B 79 -6.775 7.290 -4.457 1.00 0.90 C ATOM 2912 CD1 LEU B 79 -5.583 8.247 -4.318 1.00 1.28 C ATOM 2913 CD2 LEU B 79 -6.971 6.968 -5.944 1.00 1.19 C ATOM 0 H LEU B 79 -4.219 5.877 -3.605 1.00 0.75 H new ATOM 0 HA LEU B 79 -6.133 6.975 -1.857 1.00 0.78 H new ATOM 0 HB2 LEU B 79 -6.362 5.182 -4.256 1.00 0.85 H new ATOM 0 HB3 LEU B 79 -7.760 5.723 -3.347 1.00 0.85 H new ATOM 0 HG LEU B 79 -7.621 7.829 -4.030 1.00 0.90 H new ATOM 0 HD11 LEU B 79 -5.739 9.117 -4.956 1.00 1.28 H new ATOM 0 HD12 LEU B 79 -5.494 8.569 -3.280 1.00 1.28 H new ATOM 0 HD13 LEU B 79 -4.669 7.736 -4.619 1.00 1.28 H new ATOM 0 HD21 LEU B 79 -6.995 7.895 -6.517 1.00 1.19 H new ATOM 0 HD22 LEU B 79 -6.147 6.347 -6.293 1.00 1.19 H new ATOM 0 HD23 LEU B 79 -7.911 6.433 -6.080 1.00 1.19 H new ATOM 2925 N ILE B 80 -5.640 3.712 -1.456 1.00 0.69 N ATOM 2926 CA ILE B 80 -5.932 2.715 -0.422 1.00 0.68 C ATOM 2927 C ILE B 80 -5.257 3.075 0.907 1.00 0.66 C ATOM 2928 O ILE B 80 -5.793 2.767 1.966 1.00 0.67 O ATOM 2929 CB ILE B 80 -5.658 1.253 -0.833 1.00 0.68 C ATOM 2930 CG1 ILE B 80 -4.189 0.869 -0.649 1.00 0.70 C ATOM 2931 CG2 ILE B 80 -6.100 0.971 -2.259 1.00 0.75 C ATOM 2932 CD1 ILE B 80 -3.837 -0.573 -1.007 1.00 0.50 C ATOM 0 H ILE B 80 -4.985 3.426 -2.184 1.00 0.69 H new ATOM 0 HA ILE B 80 -7.012 2.758 -0.283 1.00 0.68 H new ATOM 0 HB ILE B 80 -6.255 0.634 -0.164 1.00 0.68 H new ATOM 0 HG12 ILE B 80 -3.578 1.536 -1.258 1.00 0.70 H new ATOM 0 HG13 ILE B 80 -3.913 1.045 0.391 1.00 0.70 H new ATOM 0 HG21 ILE B 80 -5.889 -0.069 -2.506 1.00 0.75 H new ATOM 0 HG22 ILE B 80 -7.170 1.156 -2.351 1.00 0.75 H new ATOM 0 HG23 ILE B 80 -5.559 1.624 -2.944 1.00 0.75 H new ATOM 0 HD11 ILE B 80 -2.773 -0.740 -0.841 1.00 0.50 H new ATOM 0 HD12 ILE B 80 -4.413 -1.254 -0.381 1.00 0.50 H new ATOM 0 HD13 ILE B 80 -4.073 -0.756 -2.055 1.00 0.50 H new ATOM 2944 N GLY B 81 -4.084 3.713 0.871 1.00 0.68 N ATOM 2945 CA GLY B 81 -3.423 4.248 2.057 1.00 0.76 C ATOM 2946 C GLY B 81 -4.357 5.163 2.832 1.00 0.81 C ATOM 2947 O GLY B 81 -4.429 5.138 4.062 1.00 0.86 O ATOM 0 H GLY B 81 -3.564 3.872 0.008 1.00 0.68 H new ATOM 0 HA2 GLY B 81 -3.096 3.428 2.697 1.00 0.76 H new ATOM 0 HA3 GLY B 81 -2.529 4.798 1.763 1.00 0.76 H new ATOM 2951 N GLU B 82 -5.065 5.999 2.085 1.00 0.83 N ATOM 2952 CA GLU B 82 -6.122 6.853 2.573 1.00 0.83 C ATOM 2953 C GLU B 82 -7.288 5.991 3.051 1.00 0.79 C ATOM 2954 O GLU B 82 -7.681 6.112 4.206 1.00 0.88 O ATOM 2955 CB GLU B 82 -6.452 7.841 1.461 1.00 0.87 C ATOM 2956 CG GLU B 82 -5.254 8.776 1.213 1.00 1.02 C ATOM 2957 CD GLU B 82 -5.200 9.263 -0.223 1.00 1.74 C ATOM 2958 OE1 GLU B 82 -6.282 9.410 -0.829 1.00 2.47 O ATOM 2959 OE2 GLU B 82 -4.062 9.506 -0.689 1.00 2.82 O ATOM 0 H GLU B 82 -4.907 6.100 1.082 1.00 0.83 H new ATOM 0 HA GLU B 82 -5.835 7.440 3.446 1.00 0.83 H new ATOM 0 HB2 GLU B 82 -6.698 7.302 0.546 1.00 0.87 H new ATOM 0 HB3 GLU B 82 -7.330 8.426 1.733 1.00 0.87 H new ATOM 0 HG2 GLU B 82 -5.318 9.633 1.884 1.00 1.02 H new ATOM 0 HG3 GLU B 82 -4.329 8.251 1.453 1.00 1.02 H new ATOM 2966 N LEU B 83 -7.794 5.070 2.223 1.00 0.66 N ATOM 2967 CA LEU B 83 -8.895 4.188 2.592 1.00 0.62 C ATOM 2968 C LEU B 83 -8.668 3.511 3.949 1.00 0.73 C ATOM 2969 O LEU B 83 -9.512 3.633 4.832 1.00 0.71 O ATOM 2970 CB LEU B 83 -9.156 3.158 1.489 1.00 0.60 C ATOM 2971 CG LEU B 83 -10.441 2.341 1.686 1.00 1.43 C ATOM 2972 CD1 LEU B 83 -11.692 3.213 1.843 1.00 2.44 C ATOM 2973 CD2 LEU B 83 -10.615 1.449 0.455 1.00 2.37 C ATOM 0 H LEU B 83 -7.447 4.919 1.276 1.00 0.66 H new ATOM 0 HA LEU B 83 -9.786 4.807 2.699 1.00 0.62 H new ATOM 0 HB2 LEU B 83 -9.210 3.674 0.530 1.00 0.60 H new ATOM 0 HB3 LEU B 83 -8.308 2.475 1.437 1.00 0.60 H new ATOM 0 HG LEU B 83 -10.338 1.767 2.607 1.00 1.43 H new ATOM 0 HD11 LEU B 83 -12.565 2.575 1.979 1.00 2.44 H new ATOM 0 HD12 LEU B 83 -11.577 3.861 2.712 1.00 2.44 H new ATOM 0 HD13 LEU B 83 -11.824 3.824 0.950 1.00 2.44 H new ATOM 0 HD21 LEU B 83 -11.521 0.853 0.563 1.00 2.37 H new ATOM 0 HD22 LEU B 83 -10.693 2.071 -0.437 1.00 2.37 H new ATOM 0 HD23 LEU B 83 -9.754 0.787 0.361 1.00 2.37 H new ATOM 2985 N ALA B 84 -7.534 2.822 4.139 1.00 0.93 N ATOM 2986 CA ALA B 84 -7.174 2.199 5.410 1.00 1.16 C ATOM 2987 C ALA B 84 -7.256 3.165 6.599 1.00 1.20 C ATOM 2988 O ALA B 84 -7.497 2.739 7.726 1.00 1.30 O ATOM 2989 CB ALA B 84 -5.755 1.635 5.294 1.00 1.31 C ATOM 0 H ALA B 84 -6.839 2.683 3.406 1.00 0.93 H new ATOM 0 HA ALA B 84 -7.896 1.406 5.607 1.00 1.16 H new ATOM 0 HB1 ALA B 84 -5.472 1.166 6.236 1.00 1.31 H new ATOM 0 HB2 ALA B 84 -5.722 0.894 4.496 1.00 1.31 H new ATOM 0 HB3 ALA B 84 -5.060 2.443 5.067 1.00 1.31 H new ATOM 2995 N LYS B 85 -6.973 4.449 6.367 1.00 1.19 N ATOM 2996 CA LYS B 85 -7.016 5.503 7.368 1.00 1.30 C ATOM 2997 C LYS B 85 -8.449 6.031 7.577 1.00 1.10 C ATOM 2998 O LYS B 85 -8.854 6.246 8.717 1.00 1.23 O ATOM 2999 CB LYS B 85 -5.923 6.522 7.004 1.00 1.73 C ATOM 3000 CG LYS B 85 -6.053 7.921 7.609 1.00 1.73 C ATOM 3001 CD LYS B 85 -6.815 8.793 6.610 1.00 1.81 C ATOM 3002 CE LYS B 85 -6.931 10.240 7.077 1.00 2.51 C ATOM 3003 NZ LYS B 85 -7.710 10.990 6.086 1.00 3.12 N ATOM 0 H LYS B 85 -6.699 4.789 5.445 1.00 1.19 H new ATOM 0 HA LYS B 85 -6.776 5.147 8.370 1.00 1.30 H new ATOM 0 HB2 LYS B 85 -4.960 6.110 7.306 1.00 1.73 H new ATOM 0 HB3 LYS B 85 -5.900 6.622 5.919 1.00 1.73 H new ATOM 0 HG2 LYS B 85 -6.583 7.878 8.561 1.00 1.73 H new ATOM 0 HG3 LYS B 85 -5.068 8.343 7.811 1.00 1.73 H new ATOM 0 HD2 LYS B 85 -6.308 8.764 5.645 1.00 1.81 H new ATOM 0 HD3 LYS B 85 -7.813 8.381 6.458 1.00 1.81 H new ATOM 0 HE2 LYS B 85 -7.416 10.285 8.052 1.00 2.51 H new ATOM 0 HE3 LYS B 85 -5.941 10.681 7.192 1.00 2.51 H new ATOM 0 HZ1 LYS B 85 -8.301 11.695 6.571 1.00 3.12 H new ATOM 0 HZ2 LYS B 85 -7.064 11.473 5.429 1.00 3.12 H new ATOM 0 HZ3 LYS B 85 -8.318 10.335 5.554 1.00 3.12 H new ATOM 3017 N GLU B 86 -9.218 6.229 6.499 1.00 0.91 N ATOM 3018 CA GLU B 86 -10.654 6.508 6.519 1.00 0.91 C ATOM 3019 C GLU B 86 -11.371 5.406 7.321 1.00 0.88 C ATOM 3020 O GLU B 86 -11.907 5.656 8.401 1.00 1.03 O ATOM 3021 CB GLU B 86 -11.174 6.569 5.069 1.00 0.87 C ATOM 3022 CG GLU B 86 -11.345 8.008 4.542 1.00 1.19 C ATOM 3023 CD GLU B 86 -10.038 8.617 4.104 1.00 2.33 C ATOM 3024 OE1 GLU B 86 -9.655 8.303 2.951 1.00 2.47 O ATOM 3025 OE2 GLU B 86 -9.504 9.450 4.880 1.00 3.85 O ATOM 0 H GLU B 86 -8.839 6.197 5.553 1.00 0.91 H new ATOM 0 HA GLU B 86 -10.852 7.467 6.998 1.00 0.91 H new ATOM 0 HB2 GLU B 86 -10.483 6.031 4.420 1.00 0.87 H new ATOM 0 HB3 GLU B 86 -12.132 6.052 5.012 1.00 0.87 H new ATOM 0 HG2 GLU B 86 -12.041 8.005 3.703 1.00 1.19 H new ATOM 0 HG3 GLU B 86 -11.789 8.627 5.321 1.00 1.19 H new ATOM 3032 N ILE B 87 -11.425 4.186 6.780 1.00 0.77 N ATOM 3033 CA ILE B 87 -12.188 3.087 7.355 1.00 0.82 C ATOM 3034 C ILE B 87 -11.364 2.429 8.469 1.00 1.00 C ATOM 3035 O ILE B 87 -10.337 1.805 8.217 1.00 1.05 O ATOM 3036 CB ILE B 87 -12.673 2.135 6.235 1.00 0.87 C ATOM 3037 CG1 ILE B 87 -14.031 1.485 6.553 1.00 1.32 C ATOM 3038 CG2 ILE B 87 -11.660 1.077 5.776 1.00 1.13 C ATOM 3039 CD1 ILE B 87 -14.093 0.672 7.849 1.00 1.62 C ATOM 0 H ILE B 87 -10.934 3.936 5.922 1.00 0.77 H new ATOM 0 HA ILE B 87 -13.101 3.440 7.834 1.00 0.82 H new ATOM 0 HB ILE B 87 -12.795 2.805 5.384 1.00 0.87 H new ATOM 0 HG12 ILE B 87 -14.786 2.270 6.602 1.00 1.32 H new ATOM 0 HG13 ILE B 87 -14.303 0.832 5.723 1.00 1.32 H new ATOM 0 HG21 ILE B 87 -12.103 0.466 4.990 1.00 1.13 H new ATOM 0 HG22 ILE B 87 -10.767 1.571 5.392 1.00 1.13 H new ATOM 0 HG23 ILE B 87 -11.389 0.442 6.620 1.00 1.13 H new ATOM 0 HD11 ILE B 87 -15.095 0.260 7.973 1.00 1.62 H new ATOM 0 HD12 ILE B 87 -13.369 -0.142 7.803 1.00 1.62 H new ATOM 0 HD13 ILE B 87 -13.859 1.318 8.695 1.00 1.62 H new ATOM 3051 N ARG B 88 -11.825 2.542 9.721 1.00 1.24 N ATOM 3052 CA ARG B 88 -11.055 2.123 10.889 1.00 1.47 C ATOM 3053 C ARG B 88 -11.162 0.611 11.097 1.00 1.51 C ATOM 3054 O ARG B 88 -11.529 0.146 12.172 1.00 1.71 O ATOM 3055 CB ARG B 88 -11.564 2.873 12.136 1.00 1.81 C ATOM 3056 CG ARG B 88 -13.087 2.747 12.343 1.00 3.57 C ATOM 3057 CD ARG B 88 -13.518 3.200 13.743 1.00 4.42 C ATOM 3058 NE ARG B 88 -13.414 2.134 14.764 1.00 6.14 N ATOM 3059 CZ ARG B 88 -13.800 2.302 16.039 1.00 7.43 C ATOM 3060 NH1 ARG B 88 -14.186 3.511 16.465 1.00 7.30 N ATOM 3061 NH2 ARG B 88 -13.816 1.273 16.886 1.00 9.19 N ATOM 0 H ARG B 88 -12.742 2.927 9.948 1.00 1.24 H new ATOM 0 HA ARG B 88 -10.005 2.366 10.725 1.00 1.47 H new ATOM 0 HB2 ARG B 88 -11.051 2.488 13.018 1.00 1.81 H new ATOM 0 HB3 ARG B 88 -11.302 3.927 12.050 1.00 1.81 H new ATOM 0 HG2 ARG B 88 -13.605 3.345 11.593 1.00 3.57 H new ATOM 0 HG3 ARG B 88 -13.389 1.711 12.189 1.00 3.57 H new ATOM 0 HD2 ARG B 88 -12.903 4.046 14.048 1.00 4.42 H new ATOM 0 HD3 ARG B 88 -14.548 3.553 13.701 1.00 4.42 H new ATOM 0 HE ARG B 88 -13.032 1.230 14.486 1.00 6.14 H new ATOM 0 HH11 ARG B 88 -14.187 4.302 15.821 1.00 7.30 H new ATOM 0 HH12 ARG B 88 -14.480 3.641 17.433 1.00 7.30 H new ATOM 0 HH21 ARG B 88 -13.533 0.346 16.568 1.00 9.19 H new ATOM 0 HH22 ARG B 88 -14.111 1.412 17.852 1.00 9.19 H new ATOM 3075 N LYS B 89 -10.779 -0.174 10.089 1.00 1.60 N ATOM 3076 CA LYS B 89 -10.854 -1.620 10.209 1.00 1.72 C ATOM 3077 C LYS B 89 -9.749 -2.165 11.107 1.00 1.88 C ATOM 3078 O LYS B 89 -9.892 -3.255 11.651 1.00 1.84 O ATOM 3079 CB LYS B 89 -11.024 -2.308 8.848 1.00 2.66 C ATOM 3080 CG LYS B 89 -9.780 -2.746 8.076 1.00 2.28 C ATOM 3081 CD LYS B 89 -8.733 -1.655 7.817 1.00 1.61 C ATOM 3082 CE LYS B 89 -7.965 -1.967 6.525 1.00 2.03 C ATOM 3083 NZ LYS B 89 -7.607 -3.396 6.378 1.00 3.34 N ATOM 0 H LYS B 89 -10.420 0.165 9.197 1.00 1.60 H new ATOM 0 HA LYS B 89 -11.773 -1.881 10.734 1.00 1.72 H new ATOM 0 HB2 LYS B 89 -11.643 -3.192 9.002 1.00 2.66 H new ATOM 0 HB3 LYS B 89 -11.588 -1.631 8.206 1.00 2.66 H new ATOM 0 HG2 LYS B 89 -9.302 -3.558 8.625 1.00 2.28 H new ATOM 0 HG3 LYS B 89 -10.097 -3.154 7.116 1.00 2.28 H new ATOM 0 HD2 LYS B 89 -9.220 -0.683 7.736 1.00 1.61 H new ATOM 0 HD3 LYS B 89 -8.041 -1.596 8.657 1.00 1.61 H new ATOM 0 HE2 LYS B 89 -8.570 -1.663 5.671 1.00 2.03 H new ATOM 0 HE3 LYS B 89 -7.054 -1.369 6.500 1.00 2.03 H new ATOM 0 HZ1 LYS B 89 -7.457 -3.615 5.372 1.00 3.34 H new ATOM 0 HZ2 LYS B 89 -6.734 -3.592 6.909 1.00 3.34 H new ATOM 0 HZ3 LYS B 89 -8.378 -3.987 6.749 1.00 3.34 H new ATOM 3097 N LYS B 90 -8.669 -1.402 11.322 1.00 2.34 N ATOM 3098 CA LYS B 90 -7.678 -1.766 12.321 1.00 2.89 C ATOM 3099 C LYS B 90 -8.284 -1.628 13.723 1.00 1.96 C ATOM 3100 O LYS B 90 -8.107 -0.615 14.391 1.00 2.13 O ATOM 3101 CB LYS B 90 -6.377 -0.960 12.169 1.00 4.14 C ATOM 3102 CG LYS B 90 -5.239 -1.651 12.949 1.00 5.35 C ATOM 3103 CD LYS B 90 -4.484 -0.747 13.936 1.00 6.28 C ATOM 3104 CE LYS B 90 -5.347 -0.291 15.124 1.00 6.50 C ATOM 3105 NZ LYS B 90 -4.550 0.253 16.242 1.00 7.80 N ATOM 0 H LYS B 90 -8.468 -0.538 10.818 1.00 2.34 H new ATOM 0 HA LYS B 90 -7.399 -2.808 12.167 1.00 2.89 H new ATOM 0 HB2 LYS B 90 -6.110 -0.878 11.115 1.00 4.14 H new ATOM 0 HB3 LYS B 90 -6.521 0.054 12.541 1.00 4.14 H new ATOM 0 HG2 LYS B 90 -5.656 -2.495 13.499 1.00 5.35 H new ATOM 0 HG3 LYS B 90 -4.524 -2.059 12.234 1.00 5.35 H new ATOM 0 HD2 LYS B 90 -3.612 -1.281 14.313 1.00 6.28 H new ATOM 0 HD3 LYS B 90 -4.115 0.131 13.405 1.00 6.28 H new ATOM 0 HE2 LYS B 90 -6.051 0.468 14.784 1.00 6.50 H new ATOM 0 HE3 LYS B 90 -5.937 -1.135 15.482 1.00 6.50 H new ATOM 0 HZ1 LYS B 90 -5.186 0.543 17.012 1.00 7.80 H new ATOM 0 HZ2 LYS B 90 -3.896 -0.477 16.589 1.00 7.80 H new ATOM 0 HZ3 LYS B 90 -4.007 1.076 15.913 1.00 7.80 H new ATOM 3119 N LYS B 91 -8.965 -2.687 14.148 1.00 1.82 N ATOM 3120 CA LYS B 91 -9.425 -3.030 15.486 1.00 2.12 C ATOM 3121 C LYS B 91 -10.685 -3.849 15.283 1.00 2.36 C ATOM 3122 O LYS B 91 -10.709 -5.044 15.574 1.00 3.04 O ATOM 3123 CB LYS B 91 -9.716 -1.806 16.381 1.00 2.80 C ATOM 3124 CG LYS B 91 -10.455 -2.211 17.668 1.00 3.39 C ATOM 3125 CD LYS B 91 -10.731 -1.000 18.564 1.00 3.99 C ATOM 3126 CE LYS B 91 -11.592 -1.453 19.754 1.00 4.56 C ATOM 3127 NZ LYS B 91 -11.870 -0.356 20.701 1.00 5.47 N ATOM 0 H LYS B 91 -9.239 -3.410 13.482 1.00 1.82 H new ATOM 0 HA LYS B 91 -8.641 -3.574 16.013 1.00 2.12 H new ATOM 0 HB2 LYS B 91 -8.779 -1.311 16.638 1.00 2.80 H new ATOM 0 HB3 LYS B 91 -10.316 -1.084 15.828 1.00 2.80 H new ATOM 0 HG2 LYS B 91 -11.397 -2.696 17.410 1.00 3.39 H new ATOM 0 HG3 LYS B 91 -9.860 -2.942 18.216 1.00 3.39 H new ATOM 0 HD2 LYS B 91 -9.794 -0.570 18.918 1.00 3.99 H new ATOM 0 HD3 LYS B 91 -11.245 -0.222 18.000 1.00 3.99 H new ATOM 0 HE2 LYS B 91 -12.534 -1.856 19.384 1.00 4.56 H new ATOM 0 HE3 LYS B 91 -11.084 -2.262 20.279 1.00 4.56 H new ATOM 0 HZ1 LYS B 91 -12.453 -0.713 21.484 1.00 5.47 H new ATOM 0 HZ2 LYS B 91 -10.974 0.013 21.077 1.00 5.47 H new ATOM 0 HZ3 LYS B 91 -12.379 0.406 20.210 1.00 5.47 H new ATOM 3141 N ASP B 92 -11.719 -3.228 14.716 1.00 2.39 N ATOM 3142 CA ASP B 92 -13.026 -3.859 14.666 1.00 3.08 C ATOM 3143 C ASP B 92 -13.092 -4.622 13.339 1.00 2.30 C ATOM 3144 O ASP B 92 -14.027 -4.467 12.557 1.00 2.56 O ATOM 3145 CB ASP B 92 -14.110 -2.762 14.789 1.00 4.22 C ATOM 3146 CG ASP B 92 -13.698 -1.553 15.625 1.00 5.12 C ATOM 3147 OD1 ASP B 92 -13.825 -1.562 16.868 1.00 5.51 O ATOM 3148 OD2 ASP B 92 -13.243 -0.544 15.039 1.00 6.09 O ATOM 0 H ASP B 92 -11.674 -2.301 14.292 1.00 2.39 H new ATOM 0 HA ASP B 92 -13.196 -4.560 15.483 1.00 3.08 H new ATOM 0 HB2 ASP B 92 -14.379 -2.421 13.789 1.00 4.22 H new ATOM 0 HB3 ASP B 92 -15.006 -3.202 15.227 1.00 4.22 H new ATOM 3153 N LEU B 93 -12.091 -5.473 13.088 1.00 1.84 N ATOM 3154 CA LEU B 93 -11.836 -5.905 11.719 1.00 1.28 C ATOM 3155 C LEU B 93 -12.798 -7.026 11.360 1.00 1.23 C ATOM 3156 O LEU B 93 -13.711 -6.863 10.555 1.00 1.13 O ATOM 3157 CB LEU B 93 -10.364 -6.342 11.591 1.00 1.91 C ATOM 3158 CG LEU B 93 -9.886 -6.396 10.128 1.00 1.64 C ATOM 3159 CD1 LEU B 93 -8.422 -5.960 10.040 1.00 1.97 C ATOM 3160 CD2 LEU B 93 -10.042 -7.794 9.518 1.00 2.71 C ATOM 0 H LEU B 93 -11.465 -5.863 13.793 1.00 1.84 H new ATOM 0 HA LEU B 93 -12.003 -5.086 11.019 1.00 1.28 H new ATOM 0 HB2 LEU B 93 -9.734 -5.650 12.150 1.00 1.91 H new ATOM 0 HB3 LEU B 93 -10.240 -7.325 12.046 1.00 1.91 H new ATOM 0 HG LEU B 93 -10.515 -5.713 9.557 1.00 1.64 H new ATOM 0 HD11 LEU B 93 -8.092 -6.001 9.002 1.00 1.97 H new ATOM 0 HD12 LEU B 93 -8.323 -4.940 10.412 1.00 1.97 H new ATOM 0 HD13 LEU B 93 -7.807 -6.628 10.643 1.00 1.97 H new ATOM 0 HD21 LEU B 93 -9.692 -7.782 8.486 1.00 2.71 H new ATOM 0 HD22 LEU B 93 -9.453 -8.509 10.092 1.00 2.71 H new ATOM 0 HD23 LEU B 93 -11.092 -8.086 9.541 1.00 2.71 H new ATOM 3172 N LYS B 94 -12.666 -8.138 12.083 1.00 1.60 N ATOM 3173 CA LYS B 94 -13.446 -9.330 11.821 1.00 1.73 C ATOM 3174 C LYS B 94 -14.870 -9.149 12.327 1.00 1.82 C ATOM 3175 O LYS B 94 -15.783 -9.836 11.880 1.00 1.99 O ATOM 3176 CB LYS B 94 -12.724 -10.537 12.447 1.00 2.16 C ATOM 3177 CG LYS B 94 -13.376 -11.888 12.134 1.00 3.83 C ATOM 3178 CD LYS B 94 -14.435 -12.350 13.150 1.00 5.47 C ATOM 3179 CE LYS B 94 -13.801 -12.983 14.397 1.00 6.53 C ATOM 3180 NZ LYS B 94 -14.829 -13.439 15.355 1.00 8.27 N ATOM 0 H LYS B 94 -12.015 -8.230 12.863 1.00 1.60 H new ATOM 0 HA LYS B 94 -13.530 -9.514 10.750 1.00 1.73 H new ATOM 0 HB2 LYS B 94 -11.693 -10.553 12.094 1.00 2.16 H new ATOM 0 HB3 LYS B 94 -12.689 -10.405 13.528 1.00 2.16 H new ATOM 0 HG2 LYS B 94 -13.840 -11.831 11.149 1.00 3.83 H new ATOM 0 HG3 LYS B 94 -12.595 -12.646 12.075 1.00 3.83 H new ATOM 0 HD2 LYS B 94 -15.047 -11.499 13.447 1.00 5.47 H new ATOM 0 HD3 LYS B 94 -15.101 -13.071 12.676 1.00 5.47 H new ATOM 0 HE2 LYS B 94 -13.178 -13.827 14.101 1.00 6.53 H new ATOM 0 HE3 LYS B 94 -13.147 -12.258 14.881 1.00 6.53 H new ATOM 0 HZ1 LYS B 94 -14.367 -13.861 16.185 1.00 8.27 H new ATOM 0 HZ2 LYS B 94 -15.407 -12.629 15.656 1.00 8.27 H new ATOM 0 HZ3 LYS B 94 -15.438 -14.149 14.899 1.00 8.27 H new ATOM 3194 N ILE B 95 -15.062 -8.220 13.266 1.00 1.83 N ATOM 3195 CA ILE B 95 -16.379 -7.887 13.769 1.00 2.04 C ATOM 3196 C ILE B 95 -17.295 -7.483 12.612 1.00 2.01 C ATOM 3197 O ILE B 95 -18.498 -7.720 12.693 1.00 2.26 O ATOM 3198 CB ILE B 95 -16.270 -6.802 14.862 1.00 2.14 C ATOM 3199 CG1 ILE B 95 -15.387 -7.318 16.018 1.00 2.15 C ATOM 3200 CG2 ILE B 95 -17.660 -6.394 15.379 1.00 3.09 C ATOM 3201 CD1 ILE B 95 -15.246 -6.327 17.177 1.00 2.81 C ATOM 0 H ILE B 95 -14.306 -7.684 13.692 1.00 1.83 H new ATOM 0 HA ILE B 95 -16.831 -8.761 14.238 1.00 2.04 H new ATOM 0 HB ILE B 95 -15.808 -5.915 14.429 1.00 2.14 H new ATOM 0 HG12 ILE B 95 -15.808 -8.249 16.397 1.00 2.15 H new ATOM 0 HG13 ILE B 95 -14.396 -7.552 15.629 1.00 2.15 H new ATOM 0 HG21 ILE B 95 -17.552 -5.629 16.148 1.00 3.09 H new ATOM 0 HG22 ILE B 95 -18.253 -5.999 14.554 1.00 3.09 H new ATOM 0 HG23 ILE B 95 -18.161 -7.265 15.802 1.00 3.09 H new ATOM 0 HD11 ILE B 95 -14.612 -6.760 17.951 1.00 2.81 H new ATOM 0 HD12 ILE B 95 -14.796 -5.403 16.813 1.00 2.81 H new ATOM 0 HD13 ILE B 95 -16.230 -6.111 17.593 1.00 2.81 H new ATOM 3213 N ARG B 96 -16.741 -6.892 11.543 1.00 1.78 N ATOM 3214 CA ARG B 96 -17.478 -6.448 10.369 1.00 1.90 C ATOM 3215 C ARG B 96 -18.312 -5.220 10.744 1.00 2.20 C ATOM 3216 O ARG B 96 -18.038 -4.113 10.295 1.00 2.94 O ATOM 3217 CB ARG B 96 -18.305 -7.595 9.754 1.00 2.18 C ATOM 3218 CG ARG B 96 -18.699 -7.327 8.295 1.00 2.91 C ATOM 3219 CD ARG B 96 -19.765 -6.234 8.142 1.00 4.25 C ATOM 3220 NE ARG B 96 -19.999 -5.924 6.734 1.00 5.22 N ATOM 3221 CZ ARG B 96 -20.798 -6.575 5.884 1.00 5.58 C ATOM 3222 NH1 ARG B 96 -21.507 -7.634 6.288 1.00 4.97 N ATOM 3223 NH2 ARG B 96 -20.859 -6.134 4.628 1.00 7.07 N ATOM 0 H ARG B 96 -15.740 -6.708 11.478 1.00 1.78 H new ATOM 0 HA ARG B 96 -16.785 -6.150 9.582 1.00 1.90 H new ATOM 0 HB2 ARG B 96 -17.731 -8.520 9.807 1.00 2.18 H new ATOM 0 HB3 ARG B 96 -19.207 -7.746 10.347 1.00 2.18 H new ATOM 0 HG2 ARG B 96 -17.810 -7.038 7.734 1.00 2.91 H new ATOM 0 HG3 ARG B 96 -19.070 -8.251 7.851 1.00 2.91 H new ATOM 0 HD2 ARG B 96 -20.696 -6.561 8.605 1.00 4.25 H new ATOM 0 HD3 ARG B 96 -19.446 -5.334 8.668 1.00 4.25 H new ATOM 0 HE ARG B 96 -19.496 -5.120 6.358 1.00 5.22 H new ATOM 0 HH11 ARG B 96 -21.441 -7.953 7.255 1.00 4.97 H new ATOM 0 HH12 ARG B 96 -22.114 -8.123 5.630 1.00 4.97 H new ATOM 0 HH21 ARG B 96 -20.307 -5.325 4.344 1.00 7.07 H new ATOM 0 HH22 ARG B 96 -21.458 -6.606 3.950 1.00 7.07 H new