USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 869 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 130 GLN : amide:sc= -3.97 K(o=-5.5,f=-6!) USER MOD Set 1.2: A 134 LYS NZ :NH3+ -168:sc= -1.49 (180deg=-0.299) USER MOD Set 2.1: A 115 THR OG1 : rot 93:sc= 0.674 USER MOD Set 2.2: A 116 ASN : amide:sc= 0.0877 K(o=0.76,f=-1.5) USER MOD Set 3.1: A 55 LYS NZ :NH3+ -171:sc= 0 (180deg=0) USER MOD Set 3.2: A 114 ASN :FLIP amide:sc= -0.823 F(o=-4.4!,f=-0.82) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 GLN :FLIP amide:sc= -2.36! C(o=-3.7!,f=-2.4!) USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.171 USER MOD Single : A 49 ASN :FLIP amide:sc= -0.0235 F(o=-2.5!,f=-0.024) USER MOD Single : A 51 MET CE :methyl -169:sc= -2.76! (180deg=-3.18!) USER MOD Single : A 61 CYS SG : rot 81:sc= -6.99! USER MOD Single : A 65 ASN : amide:sc= -1.5 K(o=-1.5,f=-5.6!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN :FLIP amide:sc= 0 F(o=-2!,f=0) USER MOD Single : A 71 SER OG : rot 49:sc= -3.51! USER MOD Single : A 73 GLN : amide:sc= -0.0612 X(o=-0.061,f=-0.061) USER MOD Single : A 74 LYS NZ :NH3+ -168:sc= -0.0428 (180deg=-0.232) USER MOD Single : A 76 ASN :FLIP amide:sc= -0.109 F(o=-0.96!,f=-0.11) USER MOD Single : A 80 GLN : amide:sc= -0.202 X(o=-0.2,f=-0.11) USER MOD Single : A 81 ASN : amide:sc= -0.646 X(o=-0.65,f=-1) USER MOD Single : A 83 HIS : no HD1:sc= -3.17 K(o=-3.2,f=-4.5!) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 ASN : amide:sc= -0.708 K(o=-0.71,f=-4.1!) USER MOD Single : A 90 ASN : amide:sc= -0.415 X(o=-0.41,f=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 HIS : no HD1:sc= -0.0159 X(o=-0.016,f=-0.038) USER MOD Single : A 98 TYR OH : rot 165:sc= -0.125 USER MOD Single : A 101 LYS NZ :NH3+ -167:sc= -0.0484 (180deg=-0.259) USER MOD Single : A 103 HIS : no HD1:sc= -0.148 X(o=-0.15,f=-0.003) USER MOD Single : A 109 ASN : amide:sc= -1.44 K(o=-1.4,f=-5.2!) USER MOD Single : A 117 HIS : no HE2:sc= -2.42 K(o=-2.4,f=-7.7!) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 GLN : amide:sc= -0.874 K(o=-0.87,f=-3!) USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 122 SER OG : rot 79:sc= 0.0225 USER MOD Single : A 123 THR OG1 : rot 86:sc= 1.08 USER MOD Single : A 129 SER OG : rot 69:sc= 0.611 USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 27 -18.452 -5.646 -11.374 1.00 0.00 N ATOM 2 CA MET A 27 -17.199 -5.874 -10.610 1.00 0.00 C ATOM 3 C MET A 27 -15.972 -5.484 -11.434 1.00 0.00 C ATOM 4 O MET A 27 -15.891 -5.793 -12.623 1.00 0.00 O ATOM 5 CB MET A 27 -17.122 -7.351 -10.208 1.00 0.00 C ATOM 6 CG MET A 27 -17.033 -8.312 -11.386 1.00 0.00 C ATOM 7 SD MET A 27 -18.518 -8.313 -12.410 1.00 0.00 S ATOM 8 CE MET A 27 -18.067 -9.514 -13.659 1.00 0.00 C ATOM 0 HA MET A 27 -17.209 -5.248 -9.718 1.00 0.00 H new ATOM 0 HB2 MET A 27 -16.253 -7.497 -9.567 1.00 0.00 H new ATOM 0 HB3 MET A 27 -18.001 -7.601 -9.614 1.00 0.00 H new ATOM 0 HG2 MET A 27 -16.174 -8.045 -12.002 1.00 0.00 H new ATOM 0 HG3 MET A 27 -16.856 -9.320 -11.012 1.00 0.00 H new ATOM 0 HE1 MET A 27 -18.887 -9.626 -14.369 1.00 0.00 H new ATOM 0 HE2 MET A 27 -17.175 -9.174 -14.185 1.00 0.00 H new ATOM 0 HE3 MET A 27 -17.864 -10.474 -13.184 1.00 0.00 H new ATOM 20 N PRO A 28 -14.998 -4.797 -10.809 1.00 0.00 N ATOM 21 CA PRO A 28 -13.772 -4.367 -11.492 1.00 0.00 C ATOM 22 C PRO A 28 -12.885 -5.547 -11.886 1.00 0.00 C ATOM 23 O PRO A 28 -13.375 -6.569 -12.369 1.00 0.00 O ATOM 24 CB PRO A 28 -13.075 -3.485 -10.453 1.00 0.00 C ATOM 25 CG PRO A 28 -13.599 -3.951 -9.140 1.00 0.00 C ATOM 26 CD PRO A 28 -15.015 -4.388 -9.393 1.00 0.00 C ATOM 0 HA PRO A 28 -13.984 -3.850 -12.428 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -11.992 -3.593 -10.507 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -13.299 -2.431 -10.616 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -13.000 -4.774 -8.750 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -13.563 -3.152 -8.399 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -15.304 -5.212 -8.740 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -15.723 -3.578 -9.217 1.00 0.00 H new ATOM 34 N GLN A 29 -11.577 -5.402 -11.678 1.00 0.00 N ATOM 35 CA GLN A 29 -10.625 -6.454 -12.012 1.00 0.00 C ATOM 36 C GLN A 29 -9.231 -6.110 -11.488 1.00 0.00 C ATOM 37 O GLN A 29 -9.091 -5.589 -10.381 1.00 0.00 O ATOM 38 CB GLN A 29 -10.588 -6.670 -13.529 1.00 0.00 C ATOM 39 CG GLN A 29 -10.244 -5.415 -14.316 1.00 0.00 C ATOM 40 CD GLN A 29 -10.216 -5.655 -15.812 1.00 0.00 C ATOM 41 OE1 GLN A 29 -11.218 -6.051 -16.408 1.00 0.00 O ATOM 42 NE2 GLN A 29 -9.064 -5.415 -16.429 1.00 0.00 N ATOM 0 H GLN A 29 -11.154 -4.564 -11.279 1.00 0.00 H new ATOM 0 HA GLN A 29 -10.949 -7.378 -11.533 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -9.857 -7.445 -13.759 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -11.559 -7.040 -13.858 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -10.974 -4.637 -14.090 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -9.272 -5.043 -13.993 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -8.258 -5.088 -15.896 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -8.985 -5.558 -17.436 1.00 0.00 H new ATOM 51 N THR A 30 -8.203 -6.398 -12.285 1.00 0.00 N ATOM 52 CA THR A 30 -6.827 -6.113 -11.892 1.00 0.00 C ATOM 53 C THR A 30 -5.972 -5.769 -13.109 1.00 0.00 C ATOM 54 O THR A 30 -6.473 -5.216 -14.089 1.00 0.00 O ATOM 55 CB THR A 30 -6.194 -7.313 -11.157 1.00 0.00 C ATOM 56 OG1 THR A 30 -6.240 -8.478 -11.990 1.00 0.00 O ATOM 57 CG2 THR A 30 -6.912 -7.592 -9.845 1.00 0.00 C ATOM 0 H THR A 30 -8.298 -6.828 -13.205 1.00 0.00 H new ATOM 0 HA THR A 30 -6.858 -5.258 -11.217 1.00 0.00 H new ATOM 0 HB THR A 30 -5.156 -7.065 -10.935 1.00 0.00 H new ATOM 0 HG1 THR A 30 -5.835 -9.235 -11.517 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.445 -8.442 -9.348 1.00 0.00 H new ATOM 0 HG22 THR A 30 -6.847 -6.715 -9.201 1.00 0.00 H new ATOM 0 HG23 THR A 30 -7.959 -7.819 -10.044 1.00 0.00 H new ATOM 65 N GLU A 31 -4.684 -6.100 -13.044 1.00 0.00 N ATOM 66 CA GLU A 31 -3.766 -5.825 -14.144 1.00 0.00 C ATOM 67 C GLU A 31 -3.805 -4.342 -14.522 1.00 0.00 C ATOM 68 O GLU A 31 -3.353 -3.489 -13.758 1.00 0.00 O ATOM 69 CB GLU A 31 -4.106 -6.705 -15.352 1.00 0.00 C ATOM 70 CG GLU A 31 -3.105 -6.602 -16.487 1.00 0.00 C ATOM 71 CD GLU A 31 -3.461 -7.487 -17.666 1.00 0.00 C ATOM 72 OE1 GLU A 31 -4.496 -8.184 -17.597 1.00 0.00 O ATOM 73 OE2 GLU A 31 -2.704 -7.485 -18.660 1.00 0.00 O ATOM 0 H GLU A 31 -4.254 -6.559 -12.241 1.00 0.00 H new ATOM 0 HA GLU A 31 -2.753 -6.063 -13.819 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -4.167 -7.744 -15.027 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.093 -6.429 -15.724 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -3.046 -5.566 -16.821 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -2.116 -6.875 -16.119 1.00 0.00 H new ATOM 80 N ARG A 32 -4.346 -4.040 -15.701 1.00 0.00 N ATOM 81 CA ARG A 32 -4.442 -2.663 -16.174 1.00 0.00 C ATOM 82 C ARG A 32 -5.208 -1.793 -15.181 1.00 0.00 C ATOM 83 O ARG A 32 -4.844 -0.642 -14.940 1.00 0.00 O ATOM 84 CB ARG A 32 -5.131 -2.623 -17.541 1.00 0.00 C ATOM 85 CG ARG A 32 -5.322 -1.220 -18.097 1.00 0.00 C ATOM 86 CD ARG A 32 -3.994 -0.522 -18.337 1.00 0.00 C ATOM 87 NE ARG A 32 -4.172 0.815 -18.898 1.00 0.00 N ATOM 88 CZ ARG A 32 -3.166 1.636 -19.188 1.00 0.00 C ATOM 89 NH1 ARG A 32 -1.914 1.260 -18.964 1.00 0.00 N ATOM 90 NH2 ARG A 32 -3.412 2.834 -19.700 1.00 0.00 N ATOM 0 H ARG A 32 -4.725 -4.733 -16.346 1.00 0.00 H new ATOM 0 HA ARG A 32 -3.431 -2.266 -16.268 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -4.543 -3.207 -18.250 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.105 -3.106 -17.460 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -5.879 -1.273 -19.032 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -5.921 -0.632 -17.402 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -3.447 -0.451 -17.397 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -3.387 -1.122 -19.015 1.00 0.00 H new ATOM 0 HE ARG A 32 -5.123 1.138 -19.078 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -1.721 0.340 -18.569 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -1.144 1.891 -19.187 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -4.374 3.127 -19.872 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -2.640 3.462 -19.922 1.00 0.00 H new ATOM 104 N GLN A 33 -6.276 -2.347 -14.615 1.00 0.00 N ATOM 105 CA GLN A 33 -7.100 -1.624 -13.656 1.00 0.00 C ATOM 106 C GLN A 33 -6.276 -1.163 -12.455 1.00 0.00 C ATOM 107 O GLN A 33 -6.355 -0.004 -12.046 1.00 0.00 O ATOM 108 CB GLN A 33 -8.256 -2.517 -13.195 1.00 0.00 C ATOM 109 CG GLN A 33 -9.330 -1.785 -12.408 1.00 0.00 C ATOM 110 CD GLN A 33 -8.844 -1.282 -11.062 1.00 0.00 C ATOM 111 OE1 GLN A 33 -8.910 0.029 -10.861 1.00 0.00 O flip ATOM 112 NE2 GLN A 33 -8.415 -2.063 -10.213 1.00 0.00 N flip ATOM 0 H GLN A 33 -6.591 -3.298 -14.806 1.00 0.00 H new ATOM 0 HA GLN A 33 -7.500 -0.736 -14.145 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -8.714 -2.981 -14.069 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -7.855 -3.323 -12.580 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -9.691 -0.941 -12.996 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -10.178 -2.452 -12.255 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -8.382 -3.063 -10.410 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -8.092 -1.710 -9.312 1.00 0.00 H new ATOM 121 N LEU A 34 -5.492 -2.076 -11.889 1.00 0.00 N ATOM 122 CA LEU A 34 -4.660 -1.760 -10.729 1.00 0.00 C ATOM 123 C LEU A 34 -3.629 -0.683 -11.056 1.00 0.00 C ATOM 124 O LEU A 34 -3.434 0.256 -10.284 1.00 0.00 O ATOM 125 CB LEU A 34 -3.943 -3.018 -10.230 1.00 0.00 C ATOM 126 CG LEU A 34 -4.855 -4.137 -9.718 1.00 0.00 C ATOM 127 CD1 LEU A 34 -4.031 -5.357 -9.336 1.00 0.00 C ATOM 128 CD2 LEU A 34 -5.676 -3.659 -8.530 1.00 0.00 C ATOM 0 H LEU A 34 -5.414 -3.040 -12.213 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.318 -1.380 -9.948 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.333 -3.413 -11.042 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.262 -2.733 -9.428 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.540 -4.415 -10.519 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.693 -6.144 -8.974 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.485 -5.715 -10.209 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.324 -5.088 -8.551 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -6.317 -4.469 -8.181 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.008 -3.353 -7.725 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.293 -2.812 -8.831 1.00 0.00 H new ATOM 140 N ARG A 35 -2.961 -0.836 -12.193 1.00 0.00 N ATOM 141 CA ARG A 35 -1.933 0.111 -12.615 1.00 0.00 C ATOM 142 C ARG A 35 -2.502 1.517 -12.808 1.00 0.00 C ATOM 143 O ARG A 35 -1.980 2.483 -12.255 1.00 0.00 O ATOM 144 CB ARG A 35 -1.274 -0.376 -13.907 1.00 0.00 C ATOM 145 CG ARG A 35 -0.204 0.563 -14.441 1.00 0.00 C ATOM 146 CD ARG A 35 0.567 -0.066 -15.591 1.00 0.00 C ATOM 147 NE ARG A 35 -0.306 -0.463 -16.690 1.00 0.00 N ATOM 148 CZ ARG A 35 0.129 -1.059 -17.797 1.00 0.00 C ATOM 149 NH1 ARG A 35 1.420 -1.319 -17.950 1.00 0.00 N ATOM 150 NH2 ARG A 35 -0.726 -1.396 -18.753 1.00 0.00 N ATOM 0 H ARG A 35 -3.112 -1.609 -12.842 1.00 0.00 H new ATOM 0 HA ARG A 35 -1.184 0.166 -11.825 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -0.830 -1.356 -13.730 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -2.042 -0.507 -14.669 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.667 1.491 -14.777 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.486 0.824 -13.639 1.00 0.00 H new ATOM 0 HD2 ARG A 35 1.310 0.642 -15.958 1.00 0.00 H new ATOM 0 HD3 ARG A 35 1.110 -0.939 -15.228 1.00 0.00 H new ATOM 0 HE ARG A 35 -1.305 -0.273 -16.605 1.00 0.00 H new ATOM 0 HH11 ARG A 35 2.082 -1.062 -17.218 1.00 0.00 H new ATOM 0 HH12 ARG A 35 1.751 -1.776 -18.800 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -1.720 -1.198 -18.641 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -0.389 -1.853 -19.601 1.00 0.00 H new ATOM 164 N VAL A 36 -3.564 1.627 -13.596 1.00 0.00 N ATOM 165 CA VAL A 36 -4.189 2.921 -13.862 1.00 0.00 C ATOM 166 C VAL A 36 -4.746 3.551 -12.589 1.00 0.00 C ATOM 167 O VAL A 36 -4.663 4.765 -12.398 1.00 0.00 O ATOM 168 CB VAL A 36 -5.323 2.790 -14.897 1.00 0.00 C ATOM 169 CG1 VAL A 36 -5.989 4.137 -15.140 1.00 0.00 C ATOM 170 CG2 VAL A 36 -4.792 2.211 -16.199 1.00 0.00 C ATOM 0 H VAL A 36 -4.012 0.838 -14.063 1.00 0.00 H new ATOM 0 HA VAL A 36 -3.408 3.568 -14.262 1.00 0.00 H new ATOM 0 HB VAL A 36 -6.073 2.107 -14.498 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -6.787 4.021 -15.874 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -6.407 4.510 -14.205 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -5.251 4.846 -15.515 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -5.607 2.126 -16.918 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -4.020 2.867 -16.601 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -4.368 1.224 -16.012 1.00 0.00 H new ATOM 180 N TRP A 37 -5.328 2.724 -11.730 1.00 0.00 N ATOM 181 CA TRP A 37 -5.920 3.196 -10.481 1.00 0.00 C ATOM 182 C TRP A 37 -4.903 3.904 -9.581 1.00 0.00 C ATOM 183 O TRP A 37 -4.966 5.120 -9.402 1.00 0.00 O ATOM 184 CB TRP A 37 -6.572 2.015 -9.741 1.00 0.00 C ATOM 185 CG TRP A 37 -6.589 2.143 -8.242 1.00 0.00 C ATOM 186 CD1 TRP A 37 -6.836 3.269 -7.508 1.00 0.00 C ATOM 187 CD2 TRP A 37 -6.349 1.095 -7.296 1.00 0.00 C ATOM 188 NE1 TRP A 37 -6.731 2.989 -6.169 1.00 0.00 N ATOM 189 CE2 TRP A 37 -6.447 1.660 -6.013 1.00 0.00 C ATOM 190 CE3 TRP A 37 -6.056 -0.267 -7.411 1.00 0.00 C ATOM 191 CZ2 TRP A 37 -6.263 0.913 -4.852 1.00 0.00 C ATOM 192 CZ3 TRP A 37 -5.875 -1.008 -6.259 1.00 0.00 C ATOM 193 CH2 TRP A 37 -5.980 -0.418 -4.994 1.00 0.00 C ATOM 0 H TRP A 37 -5.404 1.717 -11.875 1.00 0.00 H new ATOM 0 HA TRP A 37 -6.680 3.936 -10.732 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -7.597 1.904 -10.094 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -6.043 1.100 -10.008 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -7.078 4.237 -7.921 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -6.846 3.663 -5.412 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -5.973 -0.731 -8.382 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -6.341 1.368 -3.875 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -5.648 -2.061 -6.336 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -5.835 -1.025 -4.113 1.00 0.00 H new ATOM 204 N ILE A 38 -3.996 3.136 -8.986 1.00 0.00 N ATOM 205 CA ILE A 38 -3.004 3.691 -8.070 1.00 0.00 C ATOM 206 C ILE A 38 -2.110 4.739 -8.733 1.00 0.00 C ATOM 207 O ILE A 38 -1.945 5.838 -8.203 1.00 0.00 O ATOM 208 CB ILE A 38 -2.133 2.577 -7.462 1.00 0.00 C ATOM 209 CG1 ILE A 38 -2.989 1.652 -6.593 1.00 0.00 C ATOM 210 CG2 ILE A 38 -0.986 3.170 -6.654 1.00 0.00 C ATOM 211 CD1 ILE A 38 -2.231 0.468 -6.033 1.00 0.00 C ATOM 0 H ILE A 38 -3.927 2.127 -9.121 1.00 0.00 H new ATOM 0 HA ILE A 38 -3.564 4.188 -7.278 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.704 1.990 -8.274 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.407 2.228 -5.767 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -3.829 1.287 -7.184 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.383 2.365 -6.233 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.365 3.787 -7.303 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.388 3.782 -5.847 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.903 -0.141 -5.428 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -1.836 -0.132 -6.853 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.407 0.823 -5.414 1.00 0.00 H new ATOM 223 N GLU A 39 -1.532 4.405 -9.882 1.00 0.00 N ATOM 224 CA GLU A 39 -0.658 5.341 -10.584 1.00 0.00 C ATOM 225 C GLU A 39 -1.398 6.631 -10.918 1.00 0.00 C ATOM 226 O GLU A 39 -0.869 7.727 -10.739 1.00 0.00 O ATOM 227 CB GLU A 39 -0.102 4.711 -11.864 1.00 0.00 C ATOM 228 CG GLU A 39 0.760 3.484 -11.614 1.00 0.00 C ATOM 229 CD GLU A 39 1.375 2.933 -12.887 1.00 0.00 C ATOM 230 OE1 GLU A 39 1.120 3.506 -13.967 1.00 0.00 O ATOM 231 OE2 GLU A 39 2.111 1.928 -12.803 1.00 0.00 O ATOM 0 H GLU A 39 -1.650 3.503 -10.344 1.00 0.00 H new ATOM 0 HA GLU A 39 0.174 5.579 -9.921 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -0.933 4.435 -12.513 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.487 5.456 -12.399 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.554 3.739 -10.912 1.00 0.00 H new ATOM 0 HG3 GLU A 39 0.155 2.710 -11.143 1.00 0.00 H new ATOM 238 N GLY A 40 -2.627 6.491 -11.402 1.00 0.00 N ATOM 239 CA GLY A 40 -3.427 7.649 -11.753 1.00 0.00 C ATOM 240 C GLY A 40 -3.810 8.484 -10.544 1.00 0.00 C ATOM 241 O GLY A 40 -3.956 9.702 -10.646 1.00 0.00 O ATOM 0 H GLY A 40 -3.085 5.593 -11.558 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.872 8.269 -12.457 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.332 7.319 -12.263 1.00 0.00 H new ATOM 245 N ALA A 41 -3.986 7.824 -9.402 1.00 0.00 N ATOM 246 CA ALA A 41 -4.368 8.508 -8.171 1.00 0.00 C ATOM 247 C ALA A 41 -3.394 9.629 -7.822 1.00 0.00 C ATOM 248 O ALA A 41 -3.727 10.809 -7.930 1.00 0.00 O ATOM 249 CB ALA A 41 -4.451 7.511 -7.025 1.00 0.00 C ATOM 0 H ALA A 41 -3.870 6.815 -9.304 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.347 8.959 -8.331 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.737 8.031 -6.111 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.196 6.750 -7.258 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -3.480 7.037 -6.884 1.00 0.00 H new ATOM 255 N THR A 42 -2.192 9.252 -7.399 1.00 0.00 N ATOM 256 CA THR A 42 -1.172 10.227 -7.027 1.00 0.00 C ATOM 257 C THR A 42 -0.394 10.709 -8.245 1.00 0.00 C ATOM 258 O THR A 42 -0.303 11.910 -8.504 1.00 0.00 O ATOM 259 CB THR A 42 -0.184 9.636 -6.004 1.00 0.00 C ATOM 260 OG1 THR A 42 0.415 8.446 -6.532 1.00 0.00 O ATOM 261 CG2 THR A 42 -0.888 9.319 -4.694 1.00 0.00 C ATOM 0 H THR A 42 -1.900 8.279 -7.305 1.00 0.00 H new ATOM 0 HA THR A 42 -1.693 11.073 -6.578 1.00 0.00 H new ATOM 0 HB THR A 42 0.592 10.377 -5.811 1.00 0.00 H new ATOM 0 HG1 THR A 42 1.043 8.077 -5.876 1.00 0.00 H new ATOM 0 HG21 THR A 42 -0.171 8.903 -3.987 1.00 0.00 H new ATOM 0 HG22 THR A 42 -1.317 10.232 -4.281 1.00 0.00 H new ATOM 0 HG23 THR A 42 -1.682 8.595 -4.874 1.00 0.00 H new ATOM 269 N GLY A 43 0.172 9.763 -8.983 1.00 0.00 N ATOM 270 CA GLY A 43 0.947 10.096 -10.162 1.00 0.00 C ATOM 271 C GLY A 43 2.307 9.433 -10.140 1.00 0.00 C ATOM 272 O GLY A 43 3.303 10.018 -10.565 1.00 0.00 O ATOM 0 H GLY A 43 0.107 8.765 -8.784 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.404 9.785 -11.055 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.070 11.177 -10.224 1.00 0.00 H new ATOM 276 N ARG A 44 2.344 8.205 -9.631 1.00 0.00 N ATOM 277 CA ARG A 44 3.584 7.449 -9.539 1.00 0.00 C ATOM 278 C ARG A 44 3.486 6.151 -10.330 1.00 0.00 C ATOM 279 O ARG A 44 2.528 5.395 -10.177 1.00 0.00 O ATOM 280 CB ARG A 44 3.899 7.130 -8.077 1.00 0.00 C ATOM 281 CG ARG A 44 3.913 8.345 -7.165 1.00 0.00 C ATOM 282 CD ARG A 44 4.980 9.341 -7.582 1.00 0.00 C ATOM 283 NE ARG A 44 6.309 8.736 -7.634 1.00 0.00 N ATOM 284 CZ ARG A 44 6.939 8.239 -6.573 1.00 0.00 C ATOM 285 NH1 ARG A 44 6.371 8.290 -5.374 1.00 0.00 N ATOM 286 NH2 ARG A 44 8.140 7.694 -6.708 1.00 0.00 N ATOM 0 H ARG A 44 1.525 7.713 -9.275 1.00 0.00 H new ATOM 0 HA ARG A 44 4.384 8.058 -9.960 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.162 6.418 -7.705 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.871 6.639 -8.025 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.936 8.827 -7.185 1.00 0.00 H new ATOM 0 HG3 ARG A 44 4.091 8.028 -6.137 1.00 0.00 H new ATOM 0 HD2 ARG A 44 4.730 9.750 -8.561 1.00 0.00 H new ATOM 0 HD3 ARG A 44 4.990 10.176 -6.881 1.00 0.00 H new ATOM 0 HE ARG A 44 6.781 8.692 -8.537 1.00 0.00 H new ATOM 0 HH11 ARG A 44 5.449 8.711 -5.264 1.00 0.00 H new ATOM 0 HH12 ARG A 44 6.857 7.908 -4.563 1.00 0.00 H new ATOM 0 HH21 ARG A 44 8.582 7.655 -7.626 1.00 0.00 H new ATOM 0 HH22 ARG A 44 8.622 7.313 -5.894 1.00 0.00 H new ATOM 300 N ARG A 45 4.484 5.891 -11.167 1.00 0.00 N ATOM 301 CA ARG A 45 4.505 4.674 -11.970 1.00 0.00 C ATOM 302 C ARG A 45 5.022 3.493 -11.152 1.00 0.00 C ATOM 303 O ARG A 45 5.657 2.590 -11.690 1.00 0.00 O ATOM 304 CB ARG A 45 5.376 4.875 -13.212 1.00 0.00 C ATOM 305 CG ARG A 45 4.891 5.989 -14.127 1.00 0.00 C ATOM 306 CD ARG A 45 3.500 5.701 -14.672 1.00 0.00 C ATOM 307 NE ARG A 45 3.022 6.766 -15.552 1.00 0.00 N ATOM 308 CZ ARG A 45 3.605 7.096 -16.702 1.00 0.00 C ATOM 309 NH1 ARG A 45 4.679 6.438 -17.121 1.00 0.00 N ATOM 310 NH2 ARG A 45 3.110 8.082 -17.437 1.00 0.00 N ATOM 0 H ARG A 45 5.287 6.504 -11.307 1.00 0.00 H new ATOM 0 HA ARG A 45 3.485 4.454 -12.284 1.00 0.00 H new ATOM 0 HB2 ARG A 45 6.396 5.094 -12.897 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.409 3.943 -13.776 1.00 0.00 H new ATOM 0 HG2 ARG A 45 4.880 6.931 -13.579 1.00 0.00 H new ATOM 0 HG3 ARG A 45 5.589 6.110 -14.955 1.00 0.00 H new ATOM 0 HD2 ARG A 45 3.514 4.758 -15.219 1.00 0.00 H new ATOM 0 HD3 ARG A 45 2.804 5.578 -13.842 1.00 0.00 H new ATOM 0 HE ARG A 45 2.192 7.287 -15.268 1.00 0.00 H new ATOM 0 HH11 ARG A 45 5.061 5.676 -16.561 1.00 0.00 H new ATOM 0 HH12 ARG A 45 5.122 6.695 -18.003 1.00 0.00 H new ATOM 0 HH21 ARG A 45 2.282 8.588 -17.121 1.00 0.00 H new ATOM 0 HH22 ARG A 45 3.557 8.335 -18.318 1.00 0.00 H new ATOM 324 N ILE A 46 4.734 3.515 -9.849 1.00 0.00 N ATOM 325 CA ILE A 46 5.155 2.461 -8.934 1.00 0.00 C ATOM 326 C ILE A 46 6.674 2.298 -8.926 1.00 0.00 C ATOM 327 O ILE A 46 7.349 2.733 -7.992 1.00 0.00 O ATOM 328 CB ILE A 46 4.491 1.118 -9.294 1.00 0.00 C ATOM 329 CG1 ILE A 46 2.983 1.184 -9.030 1.00 0.00 C ATOM 330 CG2 ILE A 46 5.123 -0.024 -8.509 1.00 0.00 C ATOM 331 CD1 ILE A 46 2.237 -0.067 -9.444 1.00 0.00 C ATOM 0 H ILE A 46 4.204 4.263 -9.403 1.00 0.00 H new ATOM 0 HA ILE A 46 4.835 2.759 -7.936 1.00 0.00 H new ATOM 0 HB ILE A 46 4.650 0.928 -10.355 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.817 1.361 -7.967 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.567 2.038 -9.564 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.639 -0.963 -8.779 1.00 0.00 H new ATOM 0 HG22 ILE A 46 6.186 -0.083 -8.744 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.997 0.155 -7.441 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.176 0.054 -9.227 1.00 0.00 H new ATOM 0 HD12 ILE A 46 2.372 -0.234 -10.513 1.00 0.00 H new ATOM 0 HD13 ILE A 46 2.626 -0.922 -8.891 1.00 0.00 H new ATOM 343 N GLY A 47 7.202 1.671 -9.969 1.00 0.00 N ATOM 344 CA GLY A 47 8.635 1.461 -10.066 1.00 0.00 C ATOM 345 C GLY A 47 8.981 0.243 -10.900 1.00 0.00 C ATOM 346 O GLY A 47 8.425 0.045 -11.980 1.00 0.00 O ATOM 0 H GLY A 47 6.662 1.303 -10.752 1.00 0.00 H new ATOM 0 HA2 GLY A 47 9.101 2.344 -10.505 1.00 0.00 H new ATOM 0 HA3 GLY A 47 9.052 1.344 -9.066 1.00 0.00 H new ATOM 350 N ASP A 48 9.897 -0.576 -10.393 1.00 0.00 N ATOM 351 CA ASP A 48 10.313 -1.789 -11.088 1.00 0.00 C ATOM 352 C ASP A 48 9.166 -2.801 -11.128 1.00 0.00 C ATOM 353 O ASP A 48 8.067 -2.482 -11.581 1.00 0.00 O ATOM 354 CB ASP A 48 11.543 -2.395 -10.408 1.00 0.00 C ATOM 355 CG ASP A 48 12.727 -1.450 -10.407 1.00 0.00 C ATOM 356 OD1 ASP A 48 12.608 -0.347 -9.832 1.00 0.00 O ATOM 357 OD2 ASP A 48 13.777 -1.813 -10.980 1.00 0.00 O ATOM 0 H ASP A 48 10.366 -0.421 -9.501 1.00 0.00 H new ATOM 0 HA ASP A 48 10.578 -1.530 -12.113 1.00 0.00 H new ATOM 0 HB2 ASP A 48 11.293 -2.661 -9.381 1.00 0.00 H new ATOM 0 HB3 ASP A 48 11.819 -3.318 -10.918 1.00 0.00 H new ATOM 362 N ASN A 49 9.420 -4.018 -10.647 1.00 0.00 N ATOM 363 CA ASN A 49 8.395 -5.056 -10.629 1.00 0.00 C ATOM 364 C ASN A 49 7.145 -4.555 -9.914 1.00 0.00 C ATOM 365 O ASN A 49 7.231 -3.752 -8.987 1.00 0.00 O ATOM 366 CB ASN A 49 8.920 -6.317 -9.939 1.00 0.00 C ATOM 367 CG ASN A 49 7.911 -7.449 -9.966 1.00 0.00 C ATOM 368 OD1 ASN A 49 7.464 -7.872 -8.789 1.00 0.00 O flip ATOM 369 ND2 ASN A 49 7.532 -7.933 -11.032 1.00 0.00 N flip ATOM 0 H ASN A 49 10.322 -4.306 -10.267 1.00 0.00 H new ATOM 0 HA ASN A 49 8.139 -5.301 -11.660 1.00 0.00 H new ATOM 0 HB2 ASN A 49 9.839 -6.640 -10.428 1.00 0.00 H new ATOM 0 HB3 ASN A 49 9.174 -6.084 -8.905 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.902 -7.577 -11.914 1.00 0.00 H new ATOM 0 HD22 ASN A 49 6.848 -8.690 -11.034 1.00 0.00 H new ATOM 376 N PHE A 50 5.984 -5.023 -10.359 1.00 0.00 N ATOM 377 CA PHE A 50 4.715 -4.613 -9.769 1.00 0.00 C ATOM 378 C PHE A 50 4.692 -4.872 -8.263 1.00 0.00 C ATOM 379 O PHE A 50 4.274 -4.014 -7.485 1.00 0.00 O ATOM 380 CB PHE A 50 3.557 -5.354 -10.443 1.00 0.00 C ATOM 381 CG PHE A 50 2.201 -4.959 -9.927 1.00 0.00 C ATOM 382 CD1 PHE A 50 1.849 -3.624 -9.810 1.00 0.00 C ATOM 383 CD2 PHE A 50 1.278 -5.926 -9.561 1.00 0.00 C ATOM 384 CE1 PHE A 50 0.602 -3.260 -9.338 1.00 0.00 C ATOM 385 CE2 PHE A 50 0.029 -5.568 -9.088 1.00 0.00 C ATOM 386 CZ PHE A 50 -0.309 -4.233 -8.977 1.00 0.00 C ATOM 0 H PHE A 50 5.896 -5.688 -11.128 1.00 0.00 H new ATOM 0 HA PHE A 50 4.602 -3.541 -9.930 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.595 -5.168 -11.516 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.692 -6.426 -10.300 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.557 -2.859 -10.091 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.537 -6.971 -9.646 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.340 -2.216 -9.252 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -0.681 -6.331 -8.806 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.284 -3.951 -8.608 1.00 0.00 H new ATOM 396 N MET A 51 5.135 -6.059 -7.859 1.00 0.00 N ATOM 397 CA MET A 51 5.154 -6.429 -6.446 1.00 0.00 C ATOM 398 C MET A 51 6.250 -5.678 -5.697 1.00 0.00 C ATOM 399 O MET A 51 6.001 -5.065 -4.658 1.00 0.00 O ATOM 400 CB MET A 51 5.377 -7.935 -6.301 1.00 0.00 C ATOM 401 CG MET A 51 4.567 -8.760 -7.286 1.00 0.00 C ATOM 402 SD MET A 51 2.795 -8.453 -7.167 1.00 0.00 S ATOM 403 CE MET A 51 2.480 -8.972 -5.485 1.00 0.00 C ATOM 0 H MET A 51 5.485 -6.781 -8.489 1.00 0.00 H new ATOM 0 HA MET A 51 4.190 -6.158 -6.014 1.00 0.00 H new ATOM 0 HB2 MET A 51 6.436 -8.153 -6.439 1.00 0.00 H new ATOM 0 HB3 MET A 51 5.119 -8.237 -5.286 1.00 0.00 H new ATOM 0 HG2 MET A 51 4.902 -8.538 -8.299 1.00 0.00 H new ATOM 0 HG3 MET A 51 4.760 -9.818 -7.111 1.00 0.00 H new ATOM 0 HE1 MET A 51 1.405 -9.030 -5.317 1.00 0.00 H new ATOM 0 HE2 MET A 51 2.927 -9.952 -5.317 1.00 0.00 H new ATOM 0 HE3 MET A 51 2.917 -8.251 -4.794 1.00 0.00 H new ATOM 413 N ASP A 52 7.464 -5.740 -6.232 1.00 0.00 N ATOM 414 CA ASP A 52 8.613 -5.081 -5.629 1.00 0.00 C ATOM 415 C ASP A 52 8.389 -3.575 -5.490 1.00 0.00 C ATOM 416 O ASP A 52 8.933 -2.938 -4.589 1.00 0.00 O ATOM 417 CB ASP A 52 9.860 -5.350 -6.468 1.00 0.00 C ATOM 418 CG ASP A 52 10.260 -6.812 -6.460 1.00 0.00 C ATOM 419 OD1 ASP A 52 9.442 -7.656 -6.881 1.00 0.00 O ATOM 420 OD2 ASP A 52 11.395 -7.114 -6.033 1.00 0.00 O ATOM 0 H ASP A 52 7.677 -6.246 -7.091 1.00 0.00 H new ATOM 0 HA ASP A 52 8.750 -5.489 -4.628 1.00 0.00 H new ATOM 0 HB2 ASP A 52 9.679 -5.032 -7.495 1.00 0.00 H new ATOM 0 HB3 ASP A 52 10.686 -4.748 -6.089 1.00 0.00 H new ATOM 425 N GLY A 53 7.598 -3.009 -6.391 1.00 0.00 N ATOM 426 CA GLY A 53 7.328 -1.584 -6.350 1.00 0.00 C ATOM 427 C GLY A 53 6.523 -1.173 -5.130 1.00 0.00 C ATOM 428 O GLY A 53 6.836 -0.177 -4.479 1.00 0.00 O ATOM 0 H GLY A 53 7.138 -3.511 -7.150 1.00 0.00 H new ATOM 0 HA2 GLY A 53 8.272 -1.040 -6.357 1.00 0.00 H new ATOM 0 HA3 GLY A 53 6.787 -1.295 -7.251 1.00 0.00 H new ATOM 432 N LEU A 54 5.482 -1.941 -4.827 1.00 0.00 N ATOM 433 CA LEU A 54 4.615 -1.659 -3.685 1.00 0.00 C ATOM 434 C LEU A 54 5.396 -1.677 -2.372 1.00 0.00 C ATOM 435 O LEU A 54 4.980 -1.070 -1.384 1.00 0.00 O ATOM 436 CB LEU A 54 3.478 -2.683 -3.624 1.00 0.00 C ATOM 437 CG LEU A 54 2.589 -2.742 -4.868 1.00 0.00 C ATOM 438 CD1 LEU A 54 1.560 -3.854 -4.734 1.00 0.00 C ATOM 439 CD2 LEU A 54 1.899 -1.407 -5.099 1.00 0.00 C ATOM 0 H LEU A 54 5.216 -2.769 -5.359 1.00 0.00 H new ATOM 0 HA LEU A 54 4.201 -0.660 -3.820 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.908 -3.671 -3.457 1.00 0.00 H new ATOM 0 HB3 LEU A 54 2.853 -2.457 -2.760 1.00 0.00 H new ATOM 0 HG LEU A 54 3.221 -2.955 -5.730 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.936 -3.882 -5.627 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.070 -4.810 -4.618 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.935 -3.668 -3.861 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.272 -1.471 -5.988 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.280 -1.163 -4.235 1.00 0.00 H new ATOM 0 HD23 LEU A 54 2.649 -0.629 -5.239 1.00 0.00 H new ATOM 451 N LYS A 55 6.516 -2.392 -2.365 1.00 0.00 N ATOM 452 CA LYS A 55 7.353 -2.515 -1.171 1.00 0.00 C ATOM 453 C LYS A 55 7.644 -1.155 -0.535 1.00 0.00 C ATOM 454 O LYS A 55 7.692 -1.038 0.689 1.00 0.00 O ATOM 455 CB LYS A 55 8.668 -3.210 -1.517 1.00 0.00 C ATOM 456 CG LYS A 55 8.484 -4.535 -2.239 1.00 0.00 C ATOM 457 CD LYS A 55 9.821 -5.179 -2.569 1.00 0.00 C ATOM 458 CE LYS A 55 10.482 -5.750 -1.332 1.00 0.00 C ATOM 459 NZ LYS A 55 11.833 -6.302 -1.625 1.00 0.00 N ATOM 0 H LYS A 55 6.869 -2.899 -3.177 1.00 0.00 H new ATOM 0 HA LYS A 55 6.799 -3.113 -0.447 1.00 0.00 H new ATOM 0 HB2 LYS A 55 9.267 -2.546 -2.140 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.231 -3.381 -0.600 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.897 -5.211 -1.617 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.919 -4.375 -3.157 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.673 -5.972 -3.303 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.479 -4.440 -3.026 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.565 -4.972 -0.574 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.852 -6.536 -0.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 12.186 -6.816 -0.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 11.774 -6.952 -2.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 12.484 -5.524 -1.853 1.00 0.00 H new ATOM 473 N ASP A 56 7.854 -0.135 -1.364 1.00 0.00 N ATOM 474 CA ASP A 56 8.155 1.202 -0.860 1.00 0.00 C ATOM 475 C ASP A 56 7.094 1.676 0.134 1.00 0.00 C ATOM 476 O ASP A 56 7.415 2.316 1.135 1.00 0.00 O ATOM 477 CB ASP A 56 8.299 2.204 -2.010 1.00 0.00 C ATOM 478 CG ASP A 56 7.067 2.287 -2.894 1.00 0.00 C ATOM 479 OD1 ASP A 56 6.108 1.524 -2.657 1.00 0.00 O ATOM 480 OD2 ASP A 56 7.065 3.113 -3.829 1.00 0.00 O ATOM 0 H ASP A 56 7.822 -0.208 -2.381 1.00 0.00 H new ATOM 0 HA ASP A 56 9.108 1.145 -0.333 1.00 0.00 H new ATOM 0 HB2 ASP A 56 8.509 3.191 -1.598 1.00 0.00 H new ATOM 0 HB3 ASP A 56 9.157 1.924 -2.621 1.00 0.00 H new ATOM 485 N GLY A 57 5.834 1.350 -0.140 1.00 0.00 N ATOM 486 CA GLY A 57 4.754 1.743 0.747 1.00 0.00 C ATOM 487 C GLY A 57 4.382 3.211 0.632 1.00 0.00 C ATOM 488 O GLY A 57 3.214 3.563 0.759 1.00 0.00 O ATOM 0 H GLY A 57 5.542 0.820 -0.961 1.00 0.00 H new ATOM 0 HA2 GLY A 57 3.876 1.135 0.529 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.043 1.529 1.776 1.00 0.00 H new ATOM 492 N VAL A 58 5.375 4.065 0.410 1.00 0.00 N ATOM 493 CA VAL A 58 5.158 5.504 0.296 1.00 0.00 C ATOM 494 C VAL A 58 4.031 5.841 -0.673 1.00 0.00 C ATOM 495 O VAL A 58 3.075 6.516 -0.304 1.00 0.00 O ATOM 496 CB VAL A 58 6.434 6.221 -0.179 1.00 0.00 C ATOM 497 CG1 VAL A 58 6.213 7.725 -0.244 1.00 0.00 C ATOM 498 CG2 VAL A 58 7.606 5.886 0.730 1.00 0.00 C ATOM 0 H VAL A 58 6.349 3.782 0.304 1.00 0.00 H new ATOM 0 HA VAL A 58 4.884 5.848 1.293 1.00 0.00 H new ATOM 0 HB VAL A 58 6.671 5.870 -1.183 1.00 0.00 H new ATOM 0 HG11 VAL A 58 7.127 8.213 -0.582 1.00 0.00 H new ATOM 0 HG12 VAL A 58 5.405 7.944 -0.942 1.00 0.00 H new ATOM 0 HG13 VAL A 58 5.948 8.097 0.746 1.00 0.00 H new ATOM 0 HG21 VAL A 58 8.499 6.402 0.378 1.00 0.00 H new ATOM 0 HG22 VAL A 58 7.380 6.205 1.748 1.00 0.00 H new ATOM 0 HG23 VAL A 58 7.780 4.810 0.717 1.00 0.00 H new ATOM 508 N ILE A 59 4.155 5.380 -1.914 1.00 0.00 N ATOM 509 CA ILE A 59 3.143 5.655 -2.930 1.00 0.00 C ATOM 510 C ILE A 59 1.769 5.175 -2.480 1.00 0.00 C ATOM 511 O ILE A 59 0.802 5.936 -2.506 1.00 0.00 O ATOM 512 CB ILE A 59 3.505 4.997 -4.277 1.00 0.00 C ATOM 513 CG1 ILE A 59 4.845 5.541 -4.784 1.00 0.00 C ATOM 514 CG2 ILE A 59 2.404 5.238 -5.300 1.00 0.00 C ATOM 515 CD1 ILE A 59 5.332 4.877 -6.054 1.00 0.00 C ATOM 0 H ILE A 59 4.941 4.818 -2.240 1.00 0.00 H new ATOM 0 HA ILE A 59 3.113 6.736 -3.067 1.00 0.00 H new ATOM 0 HB ILE A 59 3.601 3.921 -4.129 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.749 6.613 -4.959 1.00 0.00 H new ATOM 0 HG13 ILE A 59 5.597 5.411 -4.006 1.00 0.00 H new ATOM 0 HG21 ILE A 59 2.676 4.767 -6.245 1.00 0.00 H new ATOM 0 HG22 ILE A 59 1.470 4.810 -4.937 1.00 0.00 H new ATOM 0 HG23 ILE A 59 2.277 6.310 -5.452 1.00 0.00 H new ATOM 0 HD11 ILE A 59 6.285 5.315 -6.351 1.00 0.00 H new ATOM 0 HD12 ILE A 59 5.462 3.809 -5.879 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.600 5.029 -6.848 1.00 0.00 H new ATOM 527 N LEU A 60 1.686 3.920 -2.048 1.00 0.00 N ATOM 528 CA LEU A 60 0.423 3.371 -1.570 1.00 0.00 C ATOM 529 C LEU A 60 -0.070 4.201 -0.396 1.00 0.00 C ATOM 530 O LEU A 60 -1.266 4.448 -0.243 1.00 0.00 O ATOM 531 CB LEU A 60 0.589 1.907 -1.160 1.00 0.00 C ATOM 532 CG LEU A 60 0.969 0.957 -2.298 1.00 0.00 C ATOM 533 CD1 LEU A 60 1.113 -0.465 -1.779 1.00 0.00 C ATOM 534 CD2 LEU A 60 -0.065 1.021 -3.415 1.00 0.00 C ATOM 0 H LEU A 60 2.471 3.270 -2.019 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.311 3.410 -2.374 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.354 1.846 -0.385 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.344 1.562 -0.715 1.00 0.00 H new ATOM 0 HG LEU A 60 1.930 1.272 -2.704 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.383 -1.127 -2.602 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.891 -0.497 -1.017 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.168 -0.792 -1.346 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.222 0.339 -4.216 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.041 0.732 -3.024 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.117 2.037 -3.805 1.00 0.00 H new ATOM 546 N CYS A 61 0.882 4.655 0.411 1.00 0.00 N ATOM 547 CA CYS A 61 0.590 5.494 1.560 1.00 0.00 C ATOM 548 C CYS A 61 0.015 6.821 1.085 1.00 0.00 C ATOM 549 O CYS A 61 -0.890 7.382 1.699 1.00 0.00 O ATOM 550 CB CYS A 61 1.864 5.717 2.385 1.00 0.00 C ATOM 551 SG CYS A 61 2.301 4.326 3.449 1.00 0.00 S ATOM 0 H CYS A 61 1.873 4.451 0.285 1.00 0.00 H new ATOM 0 HA CYS A 61 -0.145 5.000 2.196 1.00 0.00 H new ATOM 0 HB2 CYS A 61 2.694 5.917 1.707 1.00 0.00 H new ATOM 0 HB3 CYS A 61 1.734 6.606 3.002 1.00 0.00 H new ATOM 0 HG CYS A 61 2.918 3.421 2.749 1.00 0.00 H new ATOM 557 N GLU A 62 0.544 7.300 -0.033 1.00 0.00 N ATOM 558 CA GLU A 62 0.094 8.544 -0.635 1.00 0.00 C ATOM 559 C GLU A 62 -1.345 8.407 -1.126 1.00 0.00 C ATOM 560 O GLU A 62 -2.127 9.356 -1.070 1.00 0.00 O ATOM 561 CB GLU A 62 1.019 8.918 -1.796 1.00 0.00 C ATOM 562 CG GLU A 62 2.438 9.242 -1.362 1.00 0.00 C ATOM 563 CD GLU A 62 3.321 9.672 -2.519 1.00 0.00 C ATOM 564 OE1 GLU A 62 2.823 9.712 -3.665 1.00 0.00 O ATOM 565 OE2 GLU A 62 4.510 9.968 -2.280 1.00 0.00 O ATOM 0 H GLU A 62 1.295 6.837 -0.545 1.00 0.00 H new ATOM 0 HA GLU A 62 0.126 9.334 0.115 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.045 8.094 -2.509 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.602 9.779 -2.319 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.413 10.036 -0.615 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.876 8.367 -0.882 1.00 0.00 H new ATOM 572 N LEU A 63 -1.678 7.215 -1.613 1.00 0.00 N ATOM 573 CA LEU A 63 -3.012 6.931 -2.125 1.00 0.00 C ATOM 574 C LEU A 63 -4.059 6.914 -1.013 1.00 0.00 C ATOM 575 O LEU A 63 -5.117 7.531 -1.141 1.00 0.00 O ATOM 576 CB LEU A 63 -3.011 5.589 -2.861 1.00 0.00 C ATOM 577 CG LEU A 63 -4.390 5.051 -3.237 1.00 0.00 C ATOM 578 CD1 LEU A 63 -5.147 6.054 -4.093 1.00 0.00 C ATOM 579 CD2 LEU A 63 -4.262 3.718 -3.958 1.00 0.00 C ATOM 0 H LEU A 63 -1.035 6.425 -1.663 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.278 7.731 -2.816 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.419 5.692 -3.770 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.509 4.851 -2.236 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.957 4.894 -2.320 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -6.126 5.649 -4.348 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.273 6.984 -3.539 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.586 6.249 -5.007 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.254 3.349 -4.219 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.674 3.851 -4.866 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.766 2.998 -3.307 1.00 0.00 H new ATOM 591 N ILE A 64 -3.773 6.196 0.071 1.00 0.00 N ATOM 592 CA ILE A 64 -4.713 6.100 1.182 1.00 0.00 C ATOM 593 C ILE A 64 -5.007 7.470 1.783 1.00 0.00 C ATOM 594 O ILE A 64 -6.138 7.753 2.163 1.00 0.00 O ATOM 595 CB ILE A 64 -4.215 5.147 2.287 1.00 0.00 C ATOM 596 CG1 ILE A 64 -5.259 5.018 3.394 1.00 0.00 C ATOM 597 CG2 ILE A 64 -2.888 5.622 2.856 1.00 0.00 C ATOM 598 CD1 ILE A 64 -6.571 4.421 2.930 1.00 0.00 C ATOM 0 H ILE A 64 -2.905 5.677 0.202 1.00 0.00 H new ATOM 0 HA ILE A 64 -5.633 5.689 0.767 1.00 0.00 H new ATOM 0 HB ILE A 64 -4.060 4.164 1.843 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -4.852 4.400 4.194 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -5.449 6.004 3.818 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.558 4.933 3.634 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.143 5.656 2.061 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -3.010 6.618 3.282 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -7.261 4.361 3.771 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -7.002 5.050 2.151 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -6.396 3.421 2.533 1.00 0.00 H new ATOM 610 N ASN A 65 -3.992 8.326 1.859 1.00 0.00 N ATOM 611 CA ASN A 65 -4.179 9.665 2.407 1.00 0.00 C ATOM 612 C ASN A 65 -5.269 10.405 1.638 1.00 0.00 C ATOM 613 O ASN A 65 -5.965 11.256 2.191 1.00 0.00 O ATOM 614 CB ASN A 65 -2.873 10.462 2.369 1.00 0.00 C ATOM 615 CG ASN A 65 -1.866 9.972 3.391 1.00 0.00 C ATOM 616 OD1 ASN A 65 -2.154 9.919 4.586 1.00 0.00 O ATOM 617 ND2 ASN A 65 -0.673 9.621 2.926 1.00 0.00 N ATOM 0 H ASN A 65 -3.042 8.119 1.552 1.00 0.00 H new ATOM 0 HA ASN A 65 -4.486 9.564 3.448 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -2.438 10.393 1.372 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -3.088 11.515 2.551 1.00 0.00 H new ATOM 0 HD21 ASN A 65 0.048 9.291 3.568 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -0.477 9.681 1.927 1.00 0.00 H new ATOM 624 N LYS A 66 -5.414 10.069 0.359 1.00 0.00 N ATOM 625 CA LYS A 66 -6.414 10.685 -0.489 1.00 0.00 C ATOM 626 C LYS A 66 -7.812 10.235 -0.084 1.00 0.00 C ATOM 627 O LYS A 66 -8.696 11.055 0.160 1.00 0.00 O ATOM 628 CB LYS A 66 -6.145 10.307 -1.943 1.00 0.00 C ATOM 629 CG LYS A 66 -4.766 10.702 -2.438 1.00 0.00 C ATOM 630 CD LYS A 66 -4.552 12.202 -2.352 1.00 0.00 C ATOM 631 CE LYS A 66 -3.217 12.599 -2.950 1.00 0.00 C ATOM 632 NZ LYS A 66 -2.985 14.068 -2.871 1.00 0.00 N ATOM 0 H LYS A 66 -4.843 9.366 -0.110 1.00 0.00 H new ATOM 0 HA LYS A 66 -6.357 11.768 -0.376 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -6.266 9.230 -2.056 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -6.896 10.780 -2.576 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.006 10.191 -1.847 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.641 10.374 -3.470 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -5.356 12.718 -2.876 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -4.596 12.519 -1.310 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -2.416 12.077 -2.427 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -3.178 12.281 -3.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -2.061 14.297 -3.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -3.735 14.566 -3.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -2.997 14.368 -1.875 1.00 0.00 H new ATOM 646 N LEU A 67 -7.997 8.920 -0.014 1.00 0.00 N ATOM 647 CA LEU A 67 -9.281 8.345 0.363 1.00 0.00 C ATOM 648 C LEU A 67 -9.585 8.632 1.828 1.00 0.00 C ATOM 649 O LEU A 67 -10.610 9.230 2.158 1.00 0.00 O ATOM 650 CB LEU A 67 -9.269 6.836 0.119 1.00 0.00 C ATOM 651 CG LEU A 67 -8.874 6.413 -1.298 1.00 0.00 C ATOM 652 CD1 LEU A 67 -8.809 4.897 -1.402 1.00 0.00 C ATOM 653 CD2 LEU A 67 -9.852 6.977 -2.318 1.00 0.00 C ATOM 0 H LEU A 67 -7.271 8.232 -0.214 1.00 0.00 H new ATOM 0 HA LEU A 67 -10.059 8.801 -0.250 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -8.579 6.374 0.825 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -10.261 6.440 0.337 1.00 0.00 H new ATOM 0 HG LEU A 67 -7.885 6.816 -1.514 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -8.527 4.614 -2.416 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -8.068 4.516 -0.699 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -9.785 4.474 -1.165 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -9.554 6.665 -3.319 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -10.854 6.605 -2.105 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -9.849 8.066 -2.261 1.00 0.00 H new ATOM 665 N GLN A 68 -8.677 8.210 2.702 1.00 0.00 N ATOM 666 CA GLN A 68 -8.830 8.426 4.132 1.00 0.00 C ATOM 667 C GLN A 68 -7.955 9.590 4.595 1.00 0.00 C ATOM 668 O GLN A 68 -6.728 9.523 4.529 1.00 0.00 O ATOM 669 CB GLN A 68 -8.470 7.154 4.903 1.00 0.00 C ATOM 670 CG GLN A 68 -8.630 7.286 6.411 1.00 0.00 C ATOM 671 CD GLN A 68 -8.265 6.018 7.161 1.00 0.00 C ATOM 672 OE1 GLN A 68 -7.866 4.981 6.432 1.00 0.00 O flip ATOM 673 NE2 GLN A 68 -8.343 5.970 8.389 1.00 0.00 N flip ATOM 0 H GLN A 68 -7.825 7.714 2.441 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.872 8.675 4.333 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -9.098 6.336 4.550 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.438 6.883 4.678 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -8.004 8.104 6.767 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -9.662 7.552 6.639 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -8.654 6.788 8.913 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -8.097 5.112 8.883 1.00 0.00 H new ATOM 682 N PRO A 69 -8.583 10.681 5.059 1.00 0.00 N ATOM 683 CA PRO A 69 -7.874 11.875 5.526 1.00 0.00 C ATOM 684 C PRO A 69 -6.791 11.571 6.561 1.00 0.00 C ATOM 685 O PRO A 69 -7.052 10.923 7.575 1.00 0.00 O ATOM 686 CB PRO A 69 -8.983 12.708 6.166 1.00 0.00 C ATOM 687 CG PRO A 69 -10.228 12.286 5.485 1.00 0.00 C ATOM 688 CD PRO A 69 -10.044 10.839 5.142 1.00 0.00 C ATOM 0 HA PRO A 69 -7.347 12.368 4.709 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -9.041 12.528 7.239 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -8.802 13.774 6.031 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -11.093 12.426 6.133 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -10.402 12.880 4.588 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -10.474 10.189 5.904 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -10.528 10.587 4.198 1.00 0.00 H new ATOM 696 N GLY A 70 -5.582 12.065 6.303 1.00 0.00 N ATOM 697 CA GLY A 70 -4.470 11.868 7.222 1.00 0.00 C ATOM 698 C GLY A 70 -4.288 10.427 7.659 1.00 0.00 C ATOM 699 O GLY A 70 -4.222 10.144 8.855 1.00 0.00 O ATOM 0 H GLY A 70 -5.351 12.602 5.467 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -3.552 12.213 6.747 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -4.625 12.489 8.104 1.00 0.00 H new ATOM 703 N SER A 71 -4.204 9.513 6.699 1.00 0.00 N ATOM 704 CA SER A 71 -4.024 8.099 7.013 1.00 0.00 C ATOM 705 C SER A 71 -2.643 7.840 7.609 1.00 0.00 C ATOM 706 O SER A 71 -2.522 7.445 8.769 1.00 0.00 O ATOM 707 CB SER A 71 -4.211 7.247 5.758 1.00 0.00 C ATOM 708 OG SER A 71 -5.514 7.402 5.230 1.00 0.00 O ATOM 0 H SER A 71 -4.257 9.723 5.702 1.00 0.00 H new ATOM 0 HA SER A 71 -4.777 7.823 7.751 1.00 0.00 H new ATOM 0 HB2 SER A 71 -3.474 7.532 5.007 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.034 6.198 5.996 1.00 0.00 H new ATOM 0 HG SER A 71 -5.730 8.356 5.168 1.00 0.00 H new ATOM 714 N VAL A 72 -1.606 8.063 6.807 1.00 0.00 N ATOM 715 CA VAL A 72 -0.234 7.853 7.253 1.00 0.00 C ATOM 716 C VAL A 72 0.377 9.142 7.792 1.00 0.00 C ATOM 717 O VAL A 72 0.206 10.212 7.208 1.00 0.00 O ATOM 718 CB VAL A 72 0.652 7.314 6.112 1.00 0.00 C ATOM 719 CG1 VAL A 72 2.084 7.119 6.589 1.00 0.00 C ATOM 720 CG2 VAL A 72 0.086 6.011 5.567 1.00 0.00 C ATOM 0 H VAL A 72 -1.691 8.389 5.844 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.274 7.114 8.053 1.00 0.00 H new ATOM 0 HB VAL A 72 0.659 8.049 5.307 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.692 6.738 5.769 1.00 0.00 H new ATOM 0 HG12 VAL A 72 2.488 8.073 6.927 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.099 6.406 7.413 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.724 5.645 4.763 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.047 5.269 6.365 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -0.919 6.184 5.183 1.00 0.00 H new ATOM 730 N GLN A 73 1.097 9.030 8.905 1.00 0.00 N ATOM 731 CA GLN A 73 1.744 10.185 9.520 1.00 0.00 C ATOM 732 C GLN A 73 2.878 10.699 8.632 1.00 0.00 C ATOM 733 O GLN A 73 2.722 10.803 7.415 1.00 0.00 O ATOM 734 CB GLN A 73 2.276 9.814 10.906 1.00 0.00 C ATOM 735 CG GLN A 73 1.196 9.349 11.870 1.00 0.00 C ATOM 736 CD GLN A 73 0.138 10.406 12.115 1.00 0.00 C ATOM 737 OE1 GLN A 73 0.437 11.504 12.585 1.00 0.00 O ATOM 738 NE2 GLN A 73 -1.110 10.078 11.798 1.00 0.00 N ATOM 0 H GLN A 73 1.247 8.151 9.400 1.00 0.00 H new ATOM 0 HA GLN A 73 1.007 10.981 9.630 1.00 0.00 H new ATOM 0 HB2 GLN A 73 3.021 9.025 10.801 1.00 0.00 H new ATOM 0 HB3 GLN A 73 2.785 10.678 11.333 1.00 0.00 H new ATOM 0 HG2 GLN A 73 0.722 8.451 11.473 1.00 0.00 H new ATOM 0 HG3 GLN A 73 1.656 9.074 12.819 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -1.312 9.156 11.411 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -1.866 10.748 11.942 1.00 0.00 H new ATOM 747 N LYS A 74 4.020 11.015 9.239 1.00 0.00 N ATOM 748 CA LYS A 74 5.167 11.508 8.485 1.00 0.00 C ATOM 749 C LYS A 74 5.651 10.453 7.494 1.00 0.00 C ATOM 750 O LYS A 74 5.959 9.324 7.874 1.00 0.00 O ATOM 751 CB LYS A 74 6.300 11.901 9.436 1.00 0.00 C ATOM 752 CG LYS A 74 6.760 10.770 10.341 1.00 0.00 C ATOM 753 CD LYS A 74 7.879 11.216 11.267 1.00 0.00 C ATOM 754 CE LYS A 74 8.340 10.086 12.171 1.00 0.00 C ATOM 755 NZ LYS A 74 7.234 9.573 13.028 1.00 0.00 N ATOM 0 H LYS A 74 4.174 10.939 10.244 1.00 0.00 H new ATOM 0 HA LYS A 74 4.857 12.391 7.926 1.00 0.00 H new ATOM 0 HB2 LYS A 74 7.149 12.253 8.850 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.971 12.737 10.053 1.00 0.00 H new ATOM 0 HG2 LYS A 74 5.918 10.411 10.933 1.00 0.00 H new ATOM 0 HG3 LYS A 74 7.102 9.932 9.733 1.00 0.00 H new ATOM 0 HD2 LYS A 74 8.721 11.575 10.675 1.00 0.00 H new ATOM 0 HD3 LYS A 74 7.537 12.053 11.876 1.00 0.00 H new ATOM 0 HE2 LYS A 74 8.735 9.272 11.562 1.00 0.00 H new ATOM 0 HE3 LYS A 74 9.156 10.437 12.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 7.625 8.953 13.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 6.741 10.373 13.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 6.563 9.035 12.443 1.00 0.00 H new ATOM 769 N VAL A 75 5.712 10.827 6.219 1.00 0.00 N ATOM 770 CA VAL A 75 6.155 9.911 5.176 1.00 0.00 C ATOM 771 C VAL A 75 7.677 9.857 5.092 1.00 0.00 C ATOM 772 O VAL A 75 8.340 10.890 4.993 1.00 0.00 O ATOM 773 CB VAL A 75 5.587 10.311 3.799 1.00 0.00 C ATOM 774 CG1 VAL A 75 6.057 9.345 2.725 1.00 0.00 C ATOM 775 CG2 VAL A 75 4.068 10.371 3.846 1.00 0.00 C ATOM 0 H VAL A 75 5.460 11.757 5.885 1.00 0.00 H new ATOM 0 HA VAL A 75 5.778 8.924 5.445 1.00 0.00 H new ATOM 0 HB VAL A 75 5.960 11.304 3.548 1.00 0.00 H new ATOM 0 HG11 VAL A 75 5.646 9.644 1.761 1.00 0.00 H new ATOM 0 HG12 VAL A 75 7.146 9.358 2.675 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.717 8.338 2.967 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.685 10.655 2.866 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.674 9.393 4.121 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.756 11.109 4.585 1.00 0.00 H new ATOM 785 N ASN A 76 8.223 8.645 5.123 1.00 0.00 N ATOM 786 CA ASN A 76 9.667 8.453 5.043 1.00 0.00 C ATOM 787 C ASN A 76 10.088 8.101 3.620 1.00 0.00 C ATOM 788 O ASN A 76 9.474 7.249 2.977 1.00 0.00 O ATOM 789 CB ASN A 76 10.114 7.345 5.997 1.00 0.00 C ATOM 790 CG ASN A 76 9.714 7.614 7.433 1.00 0.00 C ATOM 791 OD1 ASN A 76 8.949 6.697 8.014 1.00 0.00 O flip ATOM 792 ND2 ASN A 76 10.091 8.631 8.015 1.00 0.00 N flip ATOM 0 H ASN A 76 7.687 7.781 5.203 1.00 0.00 H new ATOM 0 HA ASN A 76 10.146 9.389 5.332 1.00 0.00 H new ATOM 0 HB2 ASN A 76 9.682 6.398 5.675 1.00 0.00 H new ATOM 0 HB3 ASN A 76 11.197 7.237 5.940 1.00 0.00 H new ATOM 0 HD21 ASN A 76 10.678 9.309 7.529 1.00 0.00 H new ATOM 0 HD22 ASN A 76 9.816 8.796 8.983 1.00 0.00 H new ATOM 799 N ASP A 77 11.143 8.748 3.136 1.00 0.00 N ATOM 800 CA ASP A 77 11.643 8.484 1.792 1.00 0.00 C ATOM 801 C ASP A 77 12.136 7.042 1.689 1.00 0.00 C ATOM 802 O ASP A 77 12.892 6.580 2.541 1.00 0.00 O ATOM 803 CB ASP A 77 12.773 9.453 1.441 1.00 0.00 C ATOM 804 CG ASP A 77 12.326 10.901 1.474 1.00 0.00 C ATOM 805 OD1 ASP A 77 11.886 11.362 2.548 1.00 0.00 O ATOM 806 OD2 ASP A 77 12.418 11.573 0.425 1.00 0.00 O ATOM 0 H ASP A 77 11.666 9.456 3.652 1.00 0.00 H new ATOM 0 HA ASP A 77 10.828 8.631 1.083 1.00 0.00 H new ATOM 0 HB2 ASP A 77 13.597 9.314 2.141 1.00 0.00 H new ATOM 0 HB3 ASP A 77 13.155 9.216 0.448 1.00 0.00 H new ATOM 811 N PRO A 78 11.708 6.306 0.648 1.00 0.00 N ATOM 812 CA PRO A 78 12.109 4.908 0.452 1.00 0.00 C ATOM 813 C PRO A 78 13.544 4.770 -0.052 1.00 0.00 C ATOM 814 O PRO A 78 13.825 3.959 -0.935 1.00 0.00 O ATOM 815 CB PRO A 78 11.115 4.415 -0.598 1.00 0.00 C ATOM 816 CG PRO A 78 10.791 5.628 -1.395 1.00 0.00 C ATOM 817 CD PRO A 78 10.794 6.769 -0.415 1.00 0.00 C ATOM 0 HA PRO A 78 12.092 4.340 1.382 1.00 0.00 H new ATOM 0 HB2 PRO A 78 11.550 3.634 -1.221 1.00 0.00 H new ATOM 0 HB3 PRO A 78 10.223 3.994 -0.135 1.00 0.00 H new ATOM 0 HG2 PRO A 78 11.527 5.787 -2.184 1.00 0.00 H new ATOM 0 HG3 PRO A 78 9.820 5.530 -1.880 1.00 0.00 H new ATOM 0 HD2 PRO A 78 11.147 7.692 -0.874 1.00 0.00 H new ATOM 0 HD3 PRO A 78 9.795 6.968 -0.027 1.00 0.00 H new ATOM 825 N VAL A 79 14.451 5.563 0.515 1.00 0.00 N ATOM 826 CA VAL A 79 15.855 5.524 0.124 1.00 0.00 C ATOM 827 C VAL A 79 16.514 4.229 0.586 1.00 0.00 C ATOM 828 O VAL A 79 16.966 3.424 -0.228 1.00 0.00 O ATOM 829 CB VAL A 79 16.632 6.716 0.716 1.00 0.00 C ATOM 830 CG1 VAL A 79 18.082 6.695 0.253 1.00 0.00 C ATOM 831 CG2 VAL A 79 15.963 8.030 0.342 1.00 0.00 C ATOM 0 H VAL A 79 14.237 6.240 1.247 1.00 0.00 H new ATOM 0 HA VAL A 79 15.885 5.580 -0.964 1.00 0.00 H new ATOM 0 HB VAL A 79 16.622 6.627 1.802 1.00 0.00 H new ATOM 0 HG11 VAL A 79 18.613 7.545 0.682 1.00 0.00 H new ATOM 0 HG12 VAL A 79 18.555 5.769 0.580 1.00 0.00 H new ATOM 0 HG13 VAL A 79 18.118 6.756 -0.835 1.00 0.00 H new ATOM 0 HG21 VAL A 79 16.526 8.860 0.769 1.00 0.00 H new ATOM 0 HG22 VAL A 79 15.937 8.129 -0.743 1.00 0.00 H new ATOM 0 HG23 VAL A 79 14.945 8.044 0.732 1.00 0.00 H new ATOM 841 N GLN A 80 16.560 4.036 1.901 1.00 0.00 N ATOM 842 CA GLN A 80 17.158 2.840 2.481 1.00 0.00 C ATOM 843 C GLN A 80 16.212 1.647 2.356 1.00 0.00 C ATOM 844 O GLN A 80 15.899 1.211 1.248 1.00 0.00 O ATOM 845 CB GLN A 80 17.525 3.087 3.947 1.00 0.00 C ATOM 846 CG GLN A 80 18.552 4.192 4.138 1.00 0.00 C ATOM 847 CD GLN A 80 19.864 3.896 3.438 1.00 0.00 C ATOM 848 OE1 GLN A 80 20.523 2.898 3.727 1.00 0.00 O ATOM 849 NE2 GLN A 80 20.249 4.765 2.510 1.00 0.00 N ATOM 0 H GLN A 80 16.189 4.695 2.586 1.00 0.00 H new ATOM 0 HA GLN A 80 18.069 2.608 1.930 1.00 0.00 H new ATOM 0 HB2 GLN A 80 16.622 3.342 4.501 1.00 0.00 H new ATOM 0 HB3 GLN A 80 17.913 2.163 4.377 1.00 0.00 H new ATOM 0 HG2 GLN A 80 18.146 5.130 3.759 1.00 0.00 H new ATOM 0 HG3 GLN A 80 18.736 4.332 5.203 1.00 0.00 H new ATOM 0 HE21 GLN A 80 19.671 5.579 2.303 1.00 0.00 H new ATOM 0 HE22 GLN A 80 21.123 4.618 2.005 1.00 0.00 H new ATOM 858 N ASN A 81 15.763 1.117 3.492 1.00 0.00 N ATOM 859 CA ASN A 81 14.859 -0.027 3.495 1.00 0.00 C ATOM 860 C ASN A 81 13.911 0.025 4.690 1.00 0.00 C ATOM 861 O ASN A 81 12.730 -0.301 4.569 1.00 0.00 O ATOM 862 CB ASN A 81 15.655 -1.333 3.522 1.00 0.00 C ATOM 863 CG ASN A 81 16.560 -1.489 2.316 1.00 0.00 C ATOM 864 OD1 ASN A 81 16.095 -1.516 1.176 1.00 0.00 O ATOM 865 ND2 ASN A 81 17.861 -1.593 2.561 1.00 0.00 N ATOM 0 H ASN A 81 16.011 1.462 4.419 1.00 0.00 H new ATOM 0 HA ASN A 81 14.265 0.013 2.582 1.00 0.00 H new ATOM 0 HB2 ASN A 81 16.257 -1.369 4.430 1.00 0.00 H new ATOM 0 HB3 ASN A 81 14.964 -2.175 3.564 1.00 0.00 H new ATOM 0 HD21 ASN A 81 18.518 -1.700 1.789 1.00 0.00 H new ATOM 0 HD22 ASN A 81 18.203 -1.566 3.522 1.00 0.00 H new ATOM 872 N TRP A 82 14.435 0.428 5.845 1.00 0.00 N ATOM 873 CA TRP A 82 13.627 0.509 7.058 1.00 0.00 C ATOM 874 C TRP A 82 12.495 1.519 6.896 1.00 0.00 C ATOM 875 O TRP A 82 11.423 1.353 7.477 1.00 0.00 O ATOM 876 CB TRP A 82 14.498 0.855 8.273 1.00 0.00 C ATOM 877 CG TRP A 82 15.043 2.253 8.271 1.00 0.00 C ATOM 878 CD1 TRP A 82 16.303 2.640 7.915 1.00 0.00 C ATOM 879 CD2 TRP A 82 14.358 3.443 8.684 1.00 0.00 C ATOM 880 NE1 TRP A 82 16.437 3.999 8.060 1.00 0.00 N ATOM 881 CE2 TRP A 82 15.257 4.514 8.532 1.00 0.00 C ATOM 882 CE3 TRP A 82 13.069 3.708 9.157 1.00 0.00 C ATOM 883 CZ2 TRP A 82 14.910 5.828 8.838 1.00 0.00 C ATOM 884 CZ3 TRP A 82 12.727 5.012 9.462 1.00 0.00 C ATOM 885 CH2 TRP A 82 13.644 6.058 9.300 1.00 0.00 C ATOM 0 H TRP A 82 15.410 0.702 5.966 1.00 0.00 H new ATOM 0 HA TRP A 82 13.181 -0.471 7.229 1.00 0.00 H new ATOM 0 HB2 TRP A 82 13.910 0.709 9.179 1.00 0.00 H new ATOM 0 HB3 TRP A 82 15.331 0.154 8.318 1.00 0.00 H new ATOM 0 HD1 TRP A 82 17.081 1.975 7.570 1.00 0.00 H new ATOM 0 HE1 TRP A 82 17.277 4.538 7.851 1.00 0.00 H new ATOM 0 HE3 TRP A 82 12.354 2.908 9.282 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 15.616 6.636 8.715 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 11.735 5.228 9.832 1.00 0.00 H new ATOM 0 HH2 TRP A 82 13.345 7.067 9.545 1.00 0.00 H new ATOM 896 N HIS A 83 12.732 2.563 6.101 1.00 0.00 N ATOM 897 CA HIS A 83 11.715 3.586 5.871 1.00 0.00 C ATOM 898 C HIS A 83 10.416 2.944 5.396 1.00 0.00 C ATOM 899 O HIS A 83 9.335 3.258 5.893 1.00 0.00 O ATOM 900 CB HIS A 83 12.177 4.603 4.824 1.00 0.00 C ATOM 901 CG HIS A 83 13.466 5.293 5.148 1.00 0.00 C ATOM 902 ND1 HIS A 83 14.692 4.666 5.098 1.00 0.00 N ATOM 903 CD2 HIS A 83 13.716 6.575 5.505 1.00 0.00 C ATOM 904 CE1 HIS A 83 15.641 5.533 5.405 1.00 0.00 C ATOM 905 NE2 HIS A 83 15.074 6.698 5.657 1.00 0.00 N ATOM 0 H HIS A 83 13.612 2.721 5.610 1.00 0.00 H new ATOM 0 HA HIS A 83 11.550 4.102 6.817 1.00 0.00 H new ATOM 0 HB2 HIS A 83 12.284 4.095 3.866 1.00 0.00 H new ATOM 0 HB3 HIS A 83 11.399 5.356 4.700 1.00 0.00 H new ATOM 0 HD2 HIS A 83 12.983 7.356 5.644 1.00 0.00 H new ATOM 0 HE1 HIS A 83 16.700 5.324 5.443 1.00 0.00 H new ATOM 0 HE2 HIS A 83 15.566 7.551 5.922 1.00 0.00 H new ATOM 914 N LYS A 84 10.540 2.043 4.426 1.00 0.00 N ATOM 915 CA LYS A 84 9.387 1.346 3.868 1.00 0.00 C ATOM 916 C LYS A 84 8.626 0.592 4.952 1.00 0.00 C ATOM 917 O LYS A 84 7.398 0.580 4.967 1.00 0.00 O ATOM 918 CB LYS A 84 9.838 0.367 2.782 1.00 0.00 C ATOM 919 CG LYS A 84 10.602 1.022 1.641 1.00 0.00 C ATOM 920 CD LYS A 84 11.104 -0.013 0.647 1.00 0.00 C ATOM 921 CE LYS A 84 11.837 0.639 -0.515 1.00 0.00 C ATOM 922 NZ LYS A 84 12.336 -0.366 -1.492 1.00 0.00 N ATOM 0 H LYS A 84 11.432 1.778 4.009 1.00 0.00 H new ATOM 0 HA LYS A 84 8.722 2.091 3.432 1.00 0.00 H new ATOM 0 HB2 LYS A 84 10.467 -0.399 3.235 1.00 0.00 H new ATOM 0 HB3 LYS A 84 8.962 -0.139 2.376 1.00 0.00 H new ATOM 0 HG2 LYS A 84 9.956 1.736 1.131 1.00 0.00 H new ATOM 0 HG3 LYS A 84 11.446 1.585 2.041 1.00 0.00 H new ATOM 0 HD2 LYS A 84 11.771 -0.711 1.153 1.00 0.00 H new ATOM 0 HD3 LYS A 84 10.263 -0.593 0.268 1.00 0.00 H new ATOM 0 HE2 LYS A 84 11.168 1.336 -1.021 1.00 0.00 H new ATOM 0 HE3 LYS A 84 12.676 1.222 -0.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 12.829 0.120 -2.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 12.994 -1.016 -1.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 11.534 -0.905 -1.876 1.00 0.00 H new ATOM 936 N LEU A 85 9.367 -0.045 5.852 1.00 0.00 N ATOM 937 CA LEU A 85 8.776 -0.815 6.937 1.00 0.00 C ATOM 938 C LEU A 85 7.777 0.012 7.744 1.00 0.00 C ATOM 939 O LEU A 85 6.754 -0.507 8.195 1.00 0.00 O ATOM 940 CB LEU A 85 9.878 -1.339 7.858 1.00 0.00 C ATOM 941 CG LEU A 85 10.895 -2.269 7.192 1.00 0.00 C ATOM 942 CD1 LEU A 85 11.967 -2.683 8.186 1.00 0.00 C ATOM 943 CD2 LEU A 85 10.200 -3.493 6.612 1.00 0.00 C ATOM 0 H LEU A 85 10.387 -0.042 5.850 1.00 0.00 H new ATOM 0 HA LEU A 85 8.233 -1.650 6.494 1.00 0.00 H new ATOM 0 HB2 LEU A 85 10.411 -0.488 8.282 1.00 0.00 H new ATOM 0 HB3 LEU A 85 9.413 -1.870 8.689 1.00 0.00 H new ATOM 0 HG LEU A 85 11.374 -1.729 6.376 1.00 0.00 H new ATOM 0 HD11 LEU A 85 12.682 -3.344 7.696 1.00 0.00 H new ATOM 0 HD12 LEU A 85 12.485 -1.797 8.553 1.00 0.00 H new ATOM 0 HD13 LEU A 85 11.504 -3.206 9.023 1.00 0.00 H new ATOM 0 HD21 LEU A 85 10.939 -4.143 6.143 1.00 0.00 H new ATOM 0 HD22 LEU A 85 9.694 -4.036 7.410 1.00 0.00 H new ATOM 0 HD23 LEU A 85 9.469 -3.178 5.867 1.00 0.00 H new ATOM 955 N GLU A 86 8.078 1.291 7.932 1.00 0.00 N ATOM 956 CA GLU A 86 7.201 2.175 8.697 1.00 0.00 C ATOM 957 C GLU A 86 5.987 2.585 7.874 1.00 0.00 C ATOM 958 O GLU A 86 4.852 2.512 8.348 1.00 0.00 O ATOM 959 CB GLU A 86 7.960 3.417 9.167 1.00 0.00 C ATOM 960 CG GLU A 86 7.137 4.321 10.066 1.00 0.00 C ATOM 961 CD GLU A 86 7.915 5.517 10.576 1.00 0.00 C ATOM 962 OE1 GLU A 86 8.985 5.312 11.188 1.00 0.00 O ATOM 963 OE2 GLU A 86 7.451 6.659 10.373 1.00 0.00 O ATOM 0 H GLU A 86 8.918 1.740 7.568 1.00 0.00 H new ATOM 0 HA GLU A 86 6.855 1.624 9.572 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.857 3.105 9.701 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.289 3.984 8.296 1.00 0.00 H new ATOM 0 HG2 GLU A 86 6.262 4.671 9.517 1.00 0.00 H new ATOM 0 HG3 GLU A 86 6.771 3.744 10.915 1.00 0.00 H new ATOM 970 N ASN A 87 6.230 3.017 6.642 1.00 0.00 N ATOM 971 CA ASN A 87 5.161 3.438 5.754 1.00 0.00 C ATOM 972 C ASN A 87 4.162 2.308 5.538 1.00 0.00 C ATOM 973 O ASN A 87 2.951 2.524 5.568 1.00 0.00 O ATOM 974 CB ASN A 87 5.746 3.887 4.417 1.00 0.00 C ATOM 975 CG ASN A 87 6.694 5.061 4.564 1.00 0.00 C ATOM 976 OD1 ASN A 87 6.312 6.125 5.049 1.00 0.00 O ATOM 977 ND2 ASN A 87 7.939 4.871 4.143 1.00 0.00 N ATOM 0 H ASN A 87 7.164 3.084 6.237 1.00 0.00 H new ATOM 0 HA ASN A 87 4.635 4.274 6.214 1.00 0.00 H new ATOM 0 HB2 ASN A 87 6.275 3.052 3.957 1.00 0.00 H new ATOM 0 HB3 ASN A 87 4.935 4.161 3.743 1.00 0.00 H new ATOM 0 HD21 ASN A 87 8.622 5.625 4.215 1.00 0.00 H new ATOM 0 HD22 ASN A 87 8.212 3.971 3.747 1.00 0.00 H new ATOM 984 N ILE A 88 4.676 1.103 5.324 1.00 0.00 N ATOM 985 CA ILE A 88 3.824 -0.059 5.105 1.00 0.00 C ATOM 986 C ILE A 88 2.973 -0.350 6.337 1.00 0.00 C ATOM 987 O ILE A 88 1.794 -0.680 6.224 1.00 0.00 O ATOM 988 CB ILE A 88 4.647 -1.313 4.752 1.00 0.00 C ATOM 989 CG1 ILE A 88 5.463 -1.073 3.480 1.00 0.00 C ATOM 990 CG2 ILE A 88 3.729 -2.515 4.578 1.00 0.00 C ATOM 991 CD1 ILE A 88 6.326 -2.251 3.079 1.00 0.00 C ATOM 0 H ILE A 88 5.676 0.905 5.297 1.00 0.00 H new ATOM 0 HA ILE A 88 3.176 0.181 4.262 1.00 0.00 H new ATOM 0 HB ILE A 88 5.337 -1.520 5.570 1.00 0.00 H new ATOM 0 HG12 ILE A 88 4.783 -0.837 2.662 1.00 0.00 H new ATOM 0 HG13 ILE A 88 6.100 -0.201 3.627 1.00 0.00 H new ATOM 0 HG21 ILE A 88 4.324 -3.394 4.329 1.00 0.00 H new ATOM 0 HG22 ILE A 88 3.186 -2.695 5.506 1.00 0.00 H new ATOM 0 HG23 ILE A 88 3.019 -2.318 3.775 1.00 0.00 H new ATOM 0 HD11 ILE A 88 6.875 -2.007 2.169 1.00 0.00 H new ATOM 0 HD12 ILE A 88 7.031 -2.474 3.879 1.00 0.00 H new ATOM 0 HD13 ILE A 88 5.694 -3.121 2.899 1.00 0.00 H new ATOM 1003 N GLY A 89 3.583 -0.226 7.512 1.00 0.00 N ATOM 1004 CA GLY A 89 2.867 -0.478 8.749 1.00 0.00 C ATOM 1005 C GLY A 89 1.664 0.429 8.916 1.00 0.00 C ATOM 1006 O GLY A 89 0.581 -0.030 9.278 1.00 0.00 O ATOM 0 H GLY A 89 4.560 0.044 7.629 1.00 0.00 H new ATOM 0 HA2 GLY A 89 2.540 -1.518 8.771 1.00 0.00 H new ATOM 0 HA3 GLY A 89 3.544 -0.338 9.592 1.00 0.00 H new ATOM 1010 N ASN A 90 1.855 1.718 8.653 1.00 0.00 N ATOM 1011 CA ASN A 90 0.775 2.693 8.776 1.00 0.00 C ATOM 1012 C ASN A 90 -0.293 2.464 7.713 1.00 0.00 C ATOM 1013 O ASN A 90 -1.489 2.549 7.994 1.00 0.00 O ATOM 1014 CB ASN A 90 1.325 4.116 8.655 1.00 0.00 C ATOM 1015 CG ASN A 90 2.380 4.422 9.696 1.00 0.00 C ATOM 1016 OD1 ASN A 90 2.138 4.307 10.898 1.00 0.00 O ATOM 1017 ND2 ASN A 90 3.558 4.824 9.238 1.00 0.00 N ATOM 0 H ASN A 90 2.747 2.112 8.353 1.00 0.00 H new ATOM 0 HA ASN A 90 0.320 2.565 9.758 1.00 0.00 H new ATOM 0 HB2 ASN A 90 1.750 4.254 7.661 1.00 0.00 H new ATOM 0 HB3 ASN A 90 0.506 4.828 8.753 1.00 0.00 H new ATOM 0 HD21 ASN A 90 4.308 5.052 9.891 1.00 0.00 H new ATOM 0 HD22 ASN A 90 3.714 4.905 8.233 1.00 0.00 H new ATOM 1024 N PHE A 91 0.144 2.181 6.490 1.00 0.00 N ATOM 1025 CA PHE A 91 -0.773 1.947 5.380 1.00 0.00 C ATOM 1026 C PHE A 91 -1.712 0.781 5.679 1.00 0.00 C ATOM 1027 O PHE A 91 -2.930 0.906 5.558 1.00 0.00 O ATOM 1028 CB PHE A 91 0.013 1.666 4.096 1.00 0.00 C ATOM 1029 CG PHE A 91 -0.853 1.372 2.903 1.00 0.00 C ATOM 1030 CD1 PHE A 91 -1.903 2.210 2.564 1.00 0.00 C ATOM 1031 CD2 PHE A 91 -0.616 0.253 2.121 1.00 0.00 C ATOM 1032 CE1 PHE A 91 -2.699 1.939 1.468 1.00 0.00 C ATOM 1033 CE2 PHE A 91 -1.408 -0.024 1.023 1.00 0.00 C ATOM 1034 CZ PHE A 91 -2.452 0.820 0.696 1.00 0.00 C ATOM 0 H PHE A 91 1.131 2.108 6.242 1.00 0.00 H new ATOM 0 HA PHE A 91 -1.375 2.846 5.245 1.00 0.00 H new ATOM 0 HB2 PHE A 91 0.643 2.527 3.872 1.00 0.00 H new ATOM 0 HB3 PHE A 91 0.678 0.820 4.267 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -2.102 3.086 3.164 1.00 0.00 H new ATOM 0 HD2 PHE A 91 0.198 -0.411 2.373 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -3.514 2.601 1.215 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -1.211 -0.899 0.421 1.00 0.00 H new ATOM 0 HZ PHE A 91 -3.073 0.606 -0.161 1.00 0.00 H new ATOM 1044 N LEU A 92 -1.134 -0.350 6.070 1.00 0.00 N ATOM 1045 CA LEU A 92 -1.916 -1.539 6.387 1.00 0.00 C ATOM 1046 C LEU A 92 -2.769 -1.316 7.627 1.00 0.00 C ATOM 1047 O LEU A 92 -3.944 -1.666 7.651 1.00 0.00 O ATOM 1048 CB LEU A 92 -0.991 -2.737 6.587 1.00 0.00 C ATOM 1049 CG LEU A 92 -0.212 -3.150 5.342 1.00 0.00 C ATOM 1050 CD1 LEU A 92 0.846 -4.184 5.690 1.00 0.00 C ATOM 1051 CD2 LEU A 92 -1.158 -3.690 4.282 1.00 0.00 C ATOM 0 H LEU A 92 -0.126 -0.468 6.175 1.00 0.00 H new ATOM 0 HA LEU A 92 -2.584 -1.743 5.550 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.283 -2.504 7.383 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.585 -3.586 6.927 1.00 0.00 H new ATOM 0 HG LEU A 92 0.291 -2.270 4.942 1.00 0.00 H new ATOM 0 HD11 LEU A 92 1.390 -4.465 4.788 1.00 0.00 H new ATOM 0 HD12 LEU A 92 1.541 -3.763 6.417 1.00 0.00 H new ATOM 0 HD13 LEU A 92 0.367 -5.066 6.115 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -0.588 -3.981 3.400 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.687 -4.559 4.675 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -1.879 -2.919 4.011 1.00 0.00 H new ATOM 1063 N ARG A 93 -2.171 -0.725 8.652 1.00 0.00 N ATOM 1064 CA ARG A 93 -2.886 -0.446 9.891 1.00 0.00 C ATOM 1065 C ARG A 93 -4.104 0.425 9.612 1.00 0.00 C ATOM 1066 O ARG A 93 -5.168 0.238 10.202 1.00 0.00 O ATOM 1067 CB ARG A 93 -1.960 0.254 10.888 1.00 0.00 C ATOM 1068 CG ARG A 93 -2.634 0.611 12.202 1.00 0.00 C ATOM 1069 CD ARG A 93 -1.694 1.367 13.120 1.00 0.00 C ATOM 1070 NE ARG A 93 -2.334 1.731 14.381 1.00 0.00 N ATOM 1071 CZ ARG A 93 -1.723 2.407 15.350 1.00 0.00 C ATOM 1072 NH1 ARG A 93 -0.462 2.792 15.203 1.00 0.00 N ATOM 1073 NH2 ARG A 93 -2.372 2.699 16.469 1.00 0.00 N ATOM 0 H ARG A 93 -1.195 -0.430 8.651 1.00 0.00 H new ATOM 0 HA ARG A 93 -3.220 -1.390 10.321 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -1.106 -0.392 11.092 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -1.570 1.164 10.431 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -3.518 1.217 12.006 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -2.974 -0.299 12.697 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -0.816 0.754 13.323 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -1.344 2.269 12.618 1.00 0.00 H new ATOM 0 HE ARG A 93 -3.304 1.451 14.527 1.00 0.00 H new ATOM 0 HH11 ARG A 93 0.042 2.570 14.345 1.00 0.00 H new ATOM 0 HH12 ARG A 93 0.003 3.310 15.948 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -3.341 2.405 16.588 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -1.902 3.217 17.211 1.00 0.00 H new ATOM 1087 N ALA A 94 -3.931 1.381 8.707 1.00 0.00 N ATOM 1088 CA ALA A 94 -5.002 2.295 8.337 1.00 0.00 C ATOM 1089 C ALA A 94 -6.112 1.585 7.567 1.00 0.00 C ATOM 1090 O ALA A 94 -7.291 1.806 7.833 1.00 0.00 O ATOM 1091 CB ALA A 94 -4.447 3.449 7.517 1.00 0.00 C ATOM 0 H ALA A 94 -3.053 1.543 8.214 1.00 0.00 H new ATOM 0 HA ALA A 94 -5.437 2.684 9.257 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -5.257 4.126 7.246 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -3.704 3.989 8.105 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -3.981 3.061 6.611 1.00 0.00 H new ATOM 1097 N ILE A 95 -5.733 0.744 6.605 1.00 0.00 N ATOM 1098 CA ILE A 95 -6.716 0.023 5.794 1.00 0.00 C ATOM 1099 C ILE A 95 -7.447 -1.043 6.609 1.00 0.00 C ATOM 1100 O ILE A 95 -8.650 -1.242 6.444 1.00 0.00 O ATOM 1101 CB ILE A 95 -6.074 -0.630 4.550 1.00 0.00 C ATOM 1102 CG1 ILE A 95 -5.103 -1.746 4.951 1.00 0.00 C ATOM 1103 CG2 ILE A 95 -5.362 0.423 3.713 1.00 0.00 C ATOM 1104 CD1 ILE A 95 -4.500 -2.478 3.771 1.00 0.00 C ATOM 0 H ILE A 95 -4.761 0.546 6.369 1.00 0.00 H new ATOM 0 HA ILE A 95 -7.438 0.768 5.460 1.00 0.00 H new ATOM 0 HB ILE A 95 -6.868 -1.077 3.952 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -4.300 -1.319 5.552 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -5.627 -2.463 5.583 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -4.913 -0.049 2.839 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -6.080 1.177 3.390 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -4.582 0.896 4.310 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -3.824 -3.253 4.131 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.295 -2.935 3.181 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -3.947 -1.774 3.150 1.00 0.00 H new ATOM 1116 N LYS A 96 -6.718 -1.721 7.492 1.00 0.00 N ATOM 1117 CA LYS A 96 -7.298 -2.758 8.334 1.00 0.00 C ATOM 1118 C LYS A 96 -8.451 -2.197 9.158 1.00 0.00 C ATOM 1119 O LYS A 96 -9.521 -2.798 9.245 1.00 0.00 O ATOM 1120 CB LYS A 96 -6.229 -3.336 9.264 1.00 0.00 C ATOM 1121 CG LYS A 96 -5.170 -4.163 8.552 1.00 0.00 C ATOM 1122 CD LYS A 96 -4.157 -4.749 9.527 1.00 0.00 C ATOM 1123 CE LYS A 96 -4.821 -5.673 10.536 1.00 0.00 C ATOM 1124 NZ LYS A 96 -3.836 -6.252 11.492 1.00 0.00 N ATOM 0 H LYS A 96 -5.721 -1.568 7.642 1.00 0.00 H new ATOM 0 HA LYS A 96 -7.682 -3.550 7.691 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -5.741 -2.517 9.793 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -6.714 -3.957 10.017 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -5.651 -4.970 7.999 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -4.653 -3.540 7.822 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -3.396 -5.300 8.974 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -3.648 -3.941 10.053 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -5.581 -5.121 11.088 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -5.332 -6.479 10.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -4.329 -6.876 12.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -3.125 -6.800 10.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -3.366 -5.485 12.014 1.00 0.00 H new ATOM 1138 N HIS A 97 -8.216 -1.037 9.753 1.00 0.00 N ATOM 1139 CA HIS A 97 -9.212 -0.367 10.569 1.00 0.00 C ATOM 1140 C HIS A 97 -10.200 0.402 9.700 1.00 0.00 C ATOM 1141 O HIS A 97 -11.372 0.545 10.051 1.00 0.00 O ATOM 1142 CB HIS A 97 -8.523 0.576 11.551 1.00 0.00 C ATOM 1143 CG HIS A 97 -7.785 -0.131 12.644 1.00 0.00 C ATOM 1144 ND1 HIS A 97 -8.400 -0.979 13.541 1.00 0.00 N ATOM 1145 CD2 HIS A 97 -6.474 -0.114 12.984 1.00 0.00 C ATOM 1146 CE1 HIS A 97 -7.501 -1.450 14.386 1.00 0.00 C ATOM 1147 NE2 HIS A 97 -6.324 -0.942 14.070 1.00 0.00 N ATOM 0 H HIS A 97 -7.330 -0.536 9.683 1.00 0.00 H new ATOM 0 HA HIS A 97 -9.770 -1.120 11.126 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -7.825 1.210 11.004 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -9.270 1.234 11.995 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -5.692 0.446 12.493 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -7.696 -2.135 15.198 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -5.446 -1.133 14.553 1.00 0.00 H new ATOM 1156 N TYR A 98 -9.716 0.897 8.564 1.00 0.00 N ATOM 1157 CA TYR A 98 -10.550 1.658 7.639 1.00 0.00 C ATOM 1158 C TYR A 98 -11.812 0.880 7.293 1.00 0.00 C ATOM 1159 O TYR A 98 -12.904 1.445 7.227 1.00 0.00 O ATOM 1160 CB TYR A 98 -9.772 1.974 6.358 1.00 0.00 C ATOM 1161 CG TYR A 98 -10.504 2.894 5.406 1.00 0.00 C ATOM 1162 CD1 TYR A 98 -10.940 4.147 5.819 1.00 0.00 C ATOM 1163 CD2 TYR A 98 -10.756 2.510 4.093 1.00 0.00 C ATOM 1164 CE1 TYR A 98 -11.607 4.992 4.951 1.00 0.00 C ATOM 1165 CE2 TYR A 98 -11.422 3.350 3.221 1.00 0.00 C ATOM 1166 CZ TYR A 98 -11.844 4.589 3.655 1.00 0.00 C ATOM 1167 OH TYR A 98 -12.505 5.429 2.789 1.00 0.00 O ATOM 0 H TYR A 98 -8.748 0.784 8.262 1.00 0.00 H new ATOM 0 HA TYR A 98 -10.833 2.592 8.125 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -8.819 2.429 6.627 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -9.545 1.041 5.843 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -10.755 4.466 6.834 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -10.426 1.541 3.750 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -11.940 5.963 5.287 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -11.611 3.038 2.205 1.00 0.00 H new ATOM 0 HH TYR A 98 -12.384 5.112 1.870 1.00 0.00 H new ATOM 1177 N GLY A 99 -11.653 -0.420 7.076 1.00 0.00 N ATOM 1178 CA GLY A 99 -12.789 -1.257 6.739 1.00 0.00 C ATOM 1179 C GLY A 99 -12.380 -2.635 6.260 1.00 0.00 C ATOM 1180 O GLY A 99 -12.984 -3.636 6.643 1.00 0.00 O ATOM 0 H GLY A 99 -10.759 -0.909 7.127 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -13.433 -1.357 7.613 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -13.378 -0.768 5.963 1.00 0.00 H new ATOM 1184 N VAL A 100 -11.355 -2.686 5.413 1.00 0.00 N ATOM 1185 CA VAL A 100 -10.874 -3.953 4.876 1.00 0.00 C ATOM 1186 C VAL A 100 -10.449 -4.896 5.999 1.00 0.00 C ATOM 1187 O VAL A 100 -9.674 -4.521 6.878 1.00 0.00 O ATOM 1188 CB VAL A 100 -9.687 -3.745 3.915 1.00 0.00 C ATOM 1189 CG1 VAL A 100 -9.326 -5.054 3.229 1.00 0.00 C ATOM 1190 CG2 VAL A 100 -10.017 -2.677 2.884 1.00 0.00 C ATOM 0 H VAL A 100 -10.844 -1.866 5.085 1.00 0.00 H new ATOM 0 HA VAL A 100 -11.701 -4.398 4.323 1.00 0.00 H new ATOM 0 HB VAL A 100 -8.827 -3.409 4.495 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -8.486 -4.891 2.554 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -9.050 -5.794 3.980 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -10.183 -5.416 2.661 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -9.168 -2.543 2.214 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -10.889 -2.985 2.307 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -10.231 -1.736 3.391 1.00 0.00 H new ATOM 1200 N LYS A 101 -10.967 -6.119 5.961 1.00 0.00 N ATOM 1201 CA LYS A 101 -10.648 -7.119 6.973 1.00 0.00 C ATOM 1202 C LYS A 101 -9.187 -7.552 6.878 1.00 0.00 C ATOM 1203 O LYS A 101 -8.650 -7.713 5.783 1.00 0.00 O ATOM 1204 CB LYS A 101 -11.564 -8.336 6.819 1.00 0.00 C ATOM 1205 CG LYS A 101 -13.043 -8.011 6.967 1.00 0.00 C ATOM 1206 CD LYS A 101 -13.362 -7.463 8.349 1.00 0.00 C ATOM 1207 CE LYS A 101 -14.839 -7.137 8.491 1.00 0.00 C ATOM 1208 NZ LYS A 101 -15.279 -6.109 7.507 1.00 0.00 N ATOM 0 H LYS A 101 -11.611 -6.442 5.239 1.00 0.00 H new ATOM 0 HA LYS A 101 -10.808 -6.670 7.953 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -11.396 -8.785 5.840 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -11.289 -9.083 7.563 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -13.333 -7.282 6.210 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -13.633 -8.910 6.787 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -13.075 -8.193 9.106 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -12.771 -6.565 8.531 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -15.426 -8.045 8.354 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -15.036 -6.780 9.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -16.220 -5.755 7.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -14.601 -5.321 7.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -15.324 -6.533 6.558 1.00 0.00 H new ATOM 1222 N PRO A 102 -8.522 -7.747 8.033 1.00 0.00 N ATOM 1223 CA PRO A 102 -7.117 -8.165 8.075 1.00 0.00 C ATOM 1224 C PRO A 102 -6.870 -9.435 7.267 1.00 0.00 C ATOM 1225 O PRO A 102 -5.850 -9.565 6.590 1.00 0.00 O ATOM 1226 CB PRO A 102 -6.862 -8.423 9.562 1.00 0.00 C ATOM 1227 CG PRO A 102 -7.885 -7.607 10.275 1.00 0.00 C ATOM 1228 CD PRO A 102 -9.089 -7.575 9.383 1.00 0.00 C ATOM 0 HA PRO A 102 -6.457 -7.414 7.642 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -6.964 -9.481 9.802 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -5.852 -8.127 9.847 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -8.129 -8.046 11.242 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -7.515 -6.600 10.466 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -9.791 -8.372 9.628 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -9.631 -6.634 9.474 1.00 0.00 H new ATOM 1236 N HIS A 103 -7.816 -10.366 7.342 1.00 0.00 N ATOM 1237 CA HIS A 103 -7.715 -11.629 6.618 1.00 0.00 C ATOM 1238 C HIS A 103 -7.540 -11.385 5.122 1.00 0.00 C ATOM 1239 O HIS A 103 -6.968 -12.211 4.410 1.00 0.00 O ATOM 1240 CB HIS A 103 -8.959 -12.485 6.866 1.00 0.00 C ATOM 1241 CG HIS A 103 -9.166 -12.853 8.304 1.00 0.00 C ATOM 1242 ND1 HIS A 103 -10.236 -13.607 8.740 1.00 0.00 N ATOM 1243 CD2 HIS A 103 -8.434 -12.570 9.409 1.00 0.00 C ATOM 1244 CE1 HIS A 103 -10.154 -13.770 10.049 1.00 0.00 C ATOM 1245 NE2 HIS A 103 -9.070 -13.152 10.478 1.00 0.00 N ATOM 0 H HIS A 103 -8.665 -10.269 7.899 1.00 0.00 H new ATOM 0 HA HIS A 103 -6.838 -12.161 6.986 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -9.836 -11.945 6.509 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -8.884 -13.398 6.275 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -7.521 -11.994 9.443 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -10.855 -14.316 10.663 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -8.755 -13.113 11.447 1.00 0.00 H new ATOM 1254 N ASP A 104 -8.030 -10.241 4.657 1.00 0.00 N ATOM 1255 CA ASP A 104 -7.926 -9.874 3.254 1.00 0.00 C ATOM 1256 C ASP A 104 -6.932 -8.736 3.098 1.00 0.00 C ATOM 1257 O ASP A 104 -7.120 -7.830 2.287 1.00 0.00 O ATOM 1258 CB ASP A 104 -9.294 -9.458 2.712 1.00 0.00 C ATOM 1259 CG ASP A 104 -10.303 -10.588 2.751 1.00 0.00 C ATOM 1260 OD1 ASP A 104 -9.938 -11.697 3.195 1.00 0.00 O ATOM 1261 OD2 ASP A 104 -11.461 -10.365 2.337 1.00 0.00 O ATOM 0 H ASP A 104 -8.505 -9.550 5.237 1.00 0.00 H new ATOM 0 HA ASP A 104 -7.577 -10.736 2.685 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -9.672 -8.618 3.295 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -9.183 -9.109 1.685 1.00 0.00 H new ATOM 1266 N ILE A 105 -5.879 -8.792 3.902 1.00 0.00 N ATOM 1267 CA ILE A 105 -4.846 -7.769 3.890 1.00 0.00 C ATOM 1268 C ILE A 105 -3.478 -8.370 4.191 1.00 0.00 C ATOM 1269 O ILE A 105 -3.304 -9.076 5.184 1.00 0.00 O ATOM 1270 CB ILE A 105 -5.150 -6.677 4.933 1.00 0.00 C ATOM 1271 CG1 ILE A 105 -6.434 -5.931 4.571 1.00 0.00 C ATOM 1272 CG2 ILE A 105 -3.984 -5.712 5.048 1.00 0.00 C ATOM 1273 CD1 ILE A 105 -6.823 -4.866 5.573 1.00 0.00 C ATOM 0 H ILE A 105 -5.719 -9.542 4.575 1.00 0.00 H new ATOM 0 HA ILE A 105 -4.834 -7.330 2.893 1.00 0.00 H new ATOM 0 HB ILE A 105 -5.295 -7.156 5.901 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -6.311 -5.468 3.592 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -7.249 -6.650 4.484 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -4.216 -4.947 5.789 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -3.091 -6.256 5.355 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -3.807 -5.239 4.082 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -7.743 -4.380 5.249 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -6.979 -5.325 6.549 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -6.027 -4.125 5.644 1.00 0.00 H new ATOM 1285 N PHE A 106 -2.507 -8.077 3.332 1.00 0.00 N ATOM 1286 CA PHE A 106 -1.154 -8.582 3.514 1.00 0.00 C ATOM 1287 C PHE A 106 -0.432 -7.812 4.607 1.00 0.00 C ATOM 1288 O PHE A 106 -0.597 -6.601 4.740 1.00 0.00 O ATOM 1289 CB PHE A 106 -0.364 -8.502 2.206 1.00 0.00 C ATOM 1290 CG PHE A 106 -0.245 -7.109 1.646 1.00 0.00 C ATOM 1291 CD1 PHE A 106 0.697 -6.222 2.143 1.00 0.00 C ATOM 1292 CD2 PHE A 106 -1.078 -6.690 0.624 1.00 0.00 C ATOM 1293 CE1 PHE A 106 0.803 -4.943 1.631 1.00 0.00 C ATOM 1294 CE2 PHE A 106 -0.976 -5.412 0.106 1.00 0.00 C ATOM 1295 CZ PHE A 106 -0.034 -4.538 0.611 1.00 0.00 C ATOM 0 H PHE A 106 -2.633 -7.493 2.505 1.00 0.00 H new ATOM 0 HA PHE A 106 -1.225 -9.627 3.815 1.00 0.00 H new ATOM 0 HB2 PHE A 106 0.636 -8.902 2.373 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -0.843 -9.141 1.464 1.00 0.00 H new ATOM 0 HD1 PHE A 106 1.356 -6.534 2.940 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -1.817 -7.369 0.226 1.00 0.00 H new ATOM 0 HE1 PHE A 106 1.540 -4.261 2.029 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -1.632 -5.098 -0.692 1.00 0.00 H new ATOM 0 HZ PHE A 106 0.048 -3.539 0.209 1.00 0.00 H new ATOM 1305 N GLU A 107 0.372 -8.520 5.382 1.00 0.00 N ATOM 1306 CA GLU A 107 1.128 -7.898 6.458 1.00 0.00 C ATOM 1307 C GLU A 107 2.377 -7.222 5.915 1.00 0.00 C ATOM 1308 O GLU A 107 2.861 -7.568 4.837 1.00 0.00 O ATOM 1309 CB GLU A 107 1.502 -8.919 7.525 1.00 0.00 C ATOM 1310 CG GLU A 107 0.325 -9.364 8.374 1.00 0.00 C ATOM 1311 CD GLU A 107 -0.589 -10.347 7.666 1.00 0.00 C ATOM 1312 OE1 GLU A 107 -1.217 -9.960 6.659 1.00 0.00 O ATOM 1313 OE2 GLU A 107 -0.677 -11.506 8.122 1.00 0.00 O ATOM 0 H GLU A 107 0.519 -9.525 5.287 1.00 0.00 H new ATOM 0 HA GLU A 107 0.493 -7.140 6.918 1.00 0.00 H new ATOM 0 HB2 GLU A 107 1.943 -9.792 7.043 1.00 0.00 H new ATOM 0 HB3 GLU A 107 2.267 -8.492 8.173 1.00 0.00 H new ATOM 0 HG2 GLU A 107 0.699 -9.821 9.290 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -0.253 -8.488 8.668 1.00 0.00 H new ATOM 1320 N ALA A 108 2.890 -6.251 6.662 1.00 0.00 N ATOM 1321 CA ALA A 108 4.083 -5.521 6.253 1.00 0.00 C ATOM 1322 C ALA A 108 5.194 -6.477 5.834 1.00 0.00 C ATOM 1323 O ALA A 108 5.931 -6.208 4.885 1.00 0.00 O ATOM 1324 CB ALA A 108 4.556 -4.613 7.377 1.00 0.00 C ATOM 0 H ALA A 108 2.498 -5.951 7.555 1.00 0.00 H new ATOM 0 HA ALA A 108 3.827 -4.906 5.390 1.00 0.00 H new ATOM 0 HB1 ALA A 108 5.448 -4.074 7.058 1.00 0.00 H new ATOM 0 HB2 ALA A 108 3.770 -3.900 7.624 1.00 0.00 H new ATOM 0 HB3 ALA A 108 4.790 -5.214 8.256 1.00 0.00 H new ATOM 1330 N ASN A 109 5.307 -7.595 6.543 1.00 0.00 N ATOM 1331 CA ASN A 109 6.321 -8.590 6.246 1.00 0.00 C ATOM 1332 C ASN A 109 6.019 -9.323 4.940 1.00 0.00 C ATOM 1333 O ASN A 109 6.932 -9.706 4.212 1.00 0.00 O ATOM 1334 CB ASN A 109 6.431 -9.581 7.403 1.00 0.00 C ATOM 1335 CG ASN A 109 5.081 -10.098 7.857 1.00 0.00 C ATOM 1336 OD1 ASN A 109 4.348 -10.715 7.088 1.00 0.00 O ATOM 1337 ND2 ASN A 109 4.745 -9.846 9.117 1.00 0.00 N ATOM 0 H ASN A 109 4.704 -7.832 7.331 1.00 0.00 H new ATOM 0 HA ASN A 109 7.275 -8.077 6.122 1.00 0.00 H new ATOM 0 HB2 ASN A 109 7.054 -10.422 7.099 1.00 0.00 H new ATOM 0 HB3 ASN A 109 6.933 -9.100 8.242 1.00 0.00 H new ATOM 0 HD21 ASN A 109 3.848 -10.169 9.480 1.00 0.00 H new ATOM 0 HD22 ASN A 109 5.384 -9.330 9.722 1.00 0.00 H new ATOM 1344 N ASP A 110 4.737 -9.521 4.652 1.00 0.00 N ATOM 1345 CA ASP A 110 4.327 -10.213 3.432 1.00 0.00 C ATOM 1346 C ASP A 110 4.806 -9.475 2.183 1.00 0.00 C ATOM 1347 O ASP A 110 5.427 -10.068 1.301 1.00 0.00 O ATOM 1348 CB ASP A 110 2.803 -10.359 3.391 1.00 0.00 C ATOM 1349 CG ASP A 110 2.273 -11.274 4.478 1.00 0.00 C ATOM 1350 OD1 ASP A 110 3.094 -11.861 5.214 1.00 0.00 O ATOM 1351 OD2 ASP A 110 1.037 -11.412 4.586 1.00 0.00 O ATOM 0 H ASP A 110 3.965 -9.214 5.244 1.00 0.00 H new ATOM 0 HA ASP A 110 4.787 -11.201 3.443 1.00 0.00 H new ATOM 0 HB2 ASP A 110 2.345 -9.375 3.495 1.00 0.00 H new ATOM 0 HB3 ASP A 110 2.505 -10.748 2.417 1.00 0.00 H new ATOM 1356 N LEU A 111 4.506 -8.181 2.110 1.00 0.00 N ATOM 1357 CA LEU A 111 4.898 -7.365 0.963 1.00 0.00 C ATOM 1358 C LEU A 111 6.403 -7.118 0.936 1.00 0.00 C ATOM 1359 O LEU A 111 7.031 -7.185 -0.117 1.00 0.00 O ATOM 1360 CB LEU A 111 4.154 -6.028 0.986 1.00 0.00 C ATOM 1361 CG LEU A 111 4.536 -5.048 -0.130 1.00 0.00 C ATOM 1362 CD1 LEU A 111 4.269 -5.656 -1.498 1.00 0.00 C ATOM 1363 CD2 LEU A 111 3.779 -3.738 0.026 1.00 0.00 C ATOM 0 H LEU A 111 3.993 -7.674 2.831 1.00 0.00 H new ATOM 0 HA LEU A 111 4.630 -7.915 0.061 1.00 0.00 H new ATOM 0 HB2 LEU A 111 3.084 -6.225 0.924 1.00 0.00 H new ATOM 0 HB3 LEU A 111 4.334 -5.547 1.947 1.00 0.00 H new ATOM 0 HG LEU A 111 5.603 -4.842 -0.050 1.00 0.00 H new ATOM 0 HD11 LEU A 111 4.548 -4.943 -2.274 1.00 0.00 H new ATOM 0 HD12 LEU A 111 4.858 -6.566 -1.613 1.00 0.00 H new ATOM 0 HD13 LEU A 111 3.210 -5.896 -1.589 1.00 0.00 H new ATOM 0 HD21 LEU A 111 4.064 -3.056 -0.775 1.00 0.00 H new ATOM 0 HD22 LEU A 111 2.707 -3.929 -0.024 1.00 0.00 H new ATOM 0 HD23 LEU A 111 4.023 -3.289 0.989 1.00 0.00 H new ATOM 1375 N PHE A 112 6.970 -6.810 2.095 1.00 0.00 N ATOM 1376 CA PHE A 112 8.401 -6.529 2.199 1.00 0.00 C ATOM 1377 C PHE A 112 9.251 -7.752 1.850 1.00 0.00 C ATOM 1378 O PHE A 112 10.220 -7.647 1.098 1.00 0.00 O ATOM 1379 CB PHE A 112 8.747 -6.048 3.609 1.00 0.00 C ATOM 1380 CG PHE A 112 10.193 -5.672 3.781 1.00 0.00 C ATOM 1381 CD1 PHE A 112 10.777 -4.712 2.968 1.00 0.00 C ATOM 1382 CD2 PHE A 112 10.967 -6.278 4.758 1.00 0.00 C ATOM 1383 CE1 PHE A 112 12.106 -4.365 3.127 1.00 0.00 C ATOM 1384 CE2 PHE A 112 12.296 -5.935 4.922 1.00 0.00 C ATOM 1385 CZ PHE A 112 12.866 -4.977 4.105 1.00 0.00 C ATOM 0 H PHE A 112 6.463 -6.748 2.978 1.00 0.00 H new ATOM 0 HA PHE A 112 8.629 -5.744 1.478 1.00 0.00 H new ATOM 0 HB2 PHE A 112 8.125 -5.186 3.852 1.00 0.00 H new ATOM 0 HB3 PHE A 112 8.497 -6.833 4.323 1.00 0.00 H new ATOM 0 HD1 PHE A 112 10.187 -4.230 2.202 1.00 0.00 H new ATOM 0 HD2 PHE A 112 10.526 -7.027 5.399 1.00 0.00 H new ATOM 0 HE1 PHE A 112 12.549 -3.616 2.487 1.00 0.00 H new ATOM 0 HE2 PHE A 112 12.888 -6.415 5.687 1.00 0.00 H new ATOM 0 HZ PHE A 112 13.904 -4.707 4.231 1.00 0.00 H new ATOM 1395 N GLU A 113 8.894 -8.906 2.408 1.00 0.00 N ATOM 1396 CA GLU A 113 9.639 -10.136 2.163 1.00 0.00 C ATOM 1397 C GLU A 113 9.278 -10.746 0.815 1.00 0.00 C ATOM 1398 O GLU A 113 9.922 -11.694 0.363 1.00 0.00 O ATOM 1399 CB GLU A 113 9.382 -11.149 3.279 1.00 0.00 C ATOM 1400 CG GLU A 113 9.835 -10.676 4.645 1.00 0.00 C ATOM 1401 CD GLU A 113 9.603 -11.711 5.729 1.00 0.00 C ATOM 1402 OE1 GLU A 113 10.159 -12.823 5.618 1.00 0.00 O ATOM 1403 OE2 GLU A 113 8.864 -11.408 6.690 1.00 0.00 O ATOM 0 H GLU A 113 8.094 -9.014 3.032 1.00 0.00 H new ATOM 0 HA GLU A 113 10.699 -9.882 2.148 1.00 0.00 H new ATOM 0 HB2 GLU A 113 8.316 -11.373 3.317 1.00 0.00 H new ATOM 0 HB3 GLU A 113 9.895 -12.080 3.038 1.00 0.00 H new ATOM 0 HG2 GLU A 113 10.896 -10.428 4.606 1.00 0.00 H new ATOM 0 HG3 GLU A 113 9.303 -9.760 4.903 1.00 0.00 H new ATOM 1410 N ASN A 114 8.239 -10.208 0.181 1.00 0.00 N ATOM 1411 CA ASN A 114 7.791 -10.714 -1.111 1.00 0.00 C ATOM 1412 C ASN A 114 7.340 -12.166 -0.990 1.00 0.00 C ATOM 1413 O ASN A 114 7.587 -12.981 -1.879 1.00 0.00 O ATOM 1414 CB ASN A 114 8.916 -10.604 -2.146 1.00 0.00 C ATOM 1415 CG ASN A 114 9.262 -9.168 -2.501 1.00 0.00 C ATOM 1416 OD1 ASN A 114 8.514 -8.219 -1.954 1.00 0.00 O flip ATOM 1417 ND2 ASN A 114 10.191 -8.917 -3.268 1.00 0.00 N flip ATOM 0 H ASN A 114 7.694 -9.424 0.540 1.00 0.00 H new ATOM 0 HA ASN A 114 6.946 -10.110 -1.440 1.00 0.00 H new ATOM 0 HB2 ASN A 114 9.806 -11.101 -1.760 1.00 0.00 H new ATOM 0 HB3 ASN A 114 8.622 -11.135 -3.051 1.00 0.00 H new ATOM 0 HD21 ASN A 114 10.742 -9.677 -3.667 1.00 0.00 H new ATOM 0 HD22 ASN A 114 10.410 -7.949 -3.504 1.00 0.00 H new ATOM 1424 N THR A 115 6.687 -12.484 0.123 1.00 0.00 N ATOM 1425 CA THR A 115 6.210 -13.842 0.360 1.00 0.00 C ATOM 1426 C THR A 115 4.778 -14.036 -0.132 1.00 0.00 C ATOM 1427 O THR A 115 4.493 -14.958 -0.898 1.00 0.00 O ATOM 1428 CB THR A 115 6.277 -14.204 1.856 1.00 0.00 C ATOM 1429 OG1 THR A 115 5.482 -13.289 2.618 1.00 0.00 O ATOM 1430 CG2 THR A 115 7.713 -14.173 2.355 1.00 0.00 C ATOM 0 H THR A 115 6.477 -11.824 0.872 1.00 0.00 H new ATOM 0 HA THR A 115 6.869 -14.502 -0.204 1.00 0.00 H new ATOM 0 HB THR A 115 5.887 -15.214 1.981 1.00 0.00 H new ATOM 0 HG1 THR A 115 4.581 -13.657 2.734 1.00 0.00 H new ATOM 0 HG21 THR A 115 7.736 -14.432 3.414 1.00 0.00 H new ATOM 0 HG22 THR A 115 8.309 -14.892 1.793 1.00 0.00 H new ATOM 0 HG23 THR A 115 8.125 -13.173 2.217 1.00 0.00 H new ATOM 1438 N ASN A 116 3.876 -13.171 0.324 1.00 0.00 N ATOM 1439 CA ASN A 116 2.468 -13.254 -0.055 1.00 0.00 C ATOM 1440 C ASN A 116 2.171 -12.484 -1.342 1.00 0.00 C ATOM 1441 O ASN A 116 1.380 -11.541 -1.338 1.00 0.00 O ATOM 1442 CB ASN A 116 1.584 -12.731 1.080 1.00 0.00 C ATOM 1443 CG ASN A 116 1.715 -13.559 2.341 1.00 0.00 C ATOM 1444 OD1 ASN A 116 2.808 -13.717 2.884 1.00 0.00 O ATOM 1445 ND2 ASN A 116 0.596 -14.087 2.816 1.00 0.00 N ATOM 0 H ASN A 116 4.096 -12.403 0.958 1.00 0.00 H new ATOM 0 HA ASN A 116 2.244 -14.305 -0.240 1.00 0.00 H new ATOM 0 HB2 ASN A 116 1.851 -11.697 1.298 1.00 0.00 H new ATOM 0 HB3 ASN A 116 0.543 -12.730 0.756 1.00 0.00 H new ATOM 0 HD21 ASN A 116 0.619 -14.651 3.666 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -0.288 -13.929 2.332 1.00 0.00 H new ATOM 1452 N HIS A 117 2.799 -12.891 -2.443 1.00 0.00 N ATOM 1453 CA HIS A 117 2.581 -12.234 -3.730 1.00 0.00 C ATOM 1454 C HIS A 117 1.099 -12.229 -4.097 1.00 0.00 C ATOM 1455 O HIS A 117 0.556 -11.206 -4.516 1.00 0.00 O ATOM 1456 CB HIS A 117 3.375 -12.932 -4.838 1.00 0.00 C ATOM 1457 CG HIS A 117 4.857 -12.731 -4.752 1.00 0.00 C ATOM 1458 ND1 HIS A 117 5.745 -13.328 -5.622 1.00 0.00 N ATOM 1459 CD2 HIS A 117 5.606 -11.982 -3.909 1.00 0.00 C ATOM 1460 CE1 HIS A 117 6.974 -12.956 -5.316 1.00 0.00 C ATOM 1461 NE2 HIS A 117 6.918 -12.140 -4.282 1.00 0.00 N ATOM 0 H HIS A 117 3.459 -13.668 -2.470 1.00 0.00 H new ATOM 0 HA HIS A 117 2.927 -11.205 -3.635 1.00 0.00 H new ATOM 0 HB2 HIS A 117 3.162 -14.000 -4.804 1.00 0.00 H new ATOM 0 HB3 HIS A 117 3.026 -12.568 -5.804 1.00 0.00 H new ATOM 0 HD1 HIS A 117 5.492 -13.958 -6.383 1.00 0.00 H new ATOM 0 HD2 HIS A 117 5.240 -11.374 -3.095 1.00 0.00 H new ATOM 0 HE1 HIS A 117 7.873 -13.267 -5.826 1.00 0.00 H new ATOM 1470 N THR A 118 0.453 -13.380 -3.944 1.00 0.00 N ATOM 1471 CA THR A 118 -0.964 -13.515 -4.265 1.00 0.00 C ATOM 1472 C THR A 118 -1.821 -12.591 -3.405 1.00 0.00 C ATOM 1473 O THR A 118 -2.714 -11.911 -3.911 1.00 0.00 O ATOM 1474 CB THR A 118 -1.446 -14.966 -4.076 1.00 0.00 C ATOM 1475 OG1 THR A 118 -0.679 -15.849 -4.904 1.00 0.00 O ATOM 1476 CG2 THR A 118 -2.922 -15.098 -4.421 1.00 0.00 C ATOM 0 H THR A 118 0.889 -14.235 -3.599 1.00 0.00 H new ATOM 0 HA THR A 118 -1.076 -13.233 -5.312 1.00 0.00 H new ATOM 0 HB THR A 118 -1.308 -15.236 -3.029 1.00 0.00 H new ATOM 0 HG1 THR A 118 -0.990 -16.770 -4.777 1.00 0.00 H new ATOM 0 HG21 THR A 118 -3.238 -16.132 -4.279 1.00 0.00 H new ATOM 0 HG22 THR A 118 -3.507 -14.448 -3.771 1.00 0.00 H new ATOM 0 HG23 THR A 118 -3.080 -14.810 -5.460 1.00 0.00 H new ATOM 1484 N GLN A 119 -1.551 -12.576 -2.104 1.00 0.00 N ATOM 1485 CA GLN A 119 -2.301 -11.741 -1.176 1.00 0.00 C ATOM 1486 C GLN A 119 -2.173 -10.262 -1.530 1.00 0.00 C ATOM 1487 O GLN A 119 -3.146 -9.515 -1.458 1.00 0.00 O ATOM 1488 CB GLN A 119 -1.823 -11.977 0.256 1.00 0.00 C ATOM 1489 CG GLN A 119 -2.484 -11.068 1.279 1.00 0.00 C ATOM 1490 CD GLN A 119 -3.989 -11.251 1.349 1.00 0.00 C ATOM 1491 OE1 GLN A 119 -4.696 -11.101 0.351 1.00 0.00 O ATOM 1492 NE2 GLN A 119 -4.491 -11.564 2.538 1.00 0.00 N ATOM 0 H GLN A 119 -0.817 -13.134 -1.669 1.00 0.00 H new ATOM 0 HA GLN A 119 -3.352 -12.019 -1.254 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -2.016 -13.015 0.527 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -0.744 -11.832 0.298 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -2.054 -11.262 2.261 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -2.261 -10.030 1.033 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -3.870 -11.679 3.339 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -5.497 -11.689 2.650 1.00 0.00 H new ATOM 1501 N VAL A 120 -0.969 -9.844 -1.904 1.00 0.00 N ATOM 1502 CA VAL A 120 -0.721 -8.452 -2.260 1.00 0.00 C ATOM 1503 C VAL A 120 -1.638 -7.992 -3.391 1.00 0.00 C ATOM 1504 O VAL A 120 -2.206 -6.901 -3.335 1.00 0.00 O ATOM 1505 CB VAL A 120 0.750 -8.233 -2.671 1.00 0.00 C ATOM 1506 CG1 VAL A 120 0.959 -6.825 -3.210 1.00 0.00 C ATOM 1507 CG2 VAL A 120 1.680 -8.503 -1.495 1.00 0.00 C ATOM 0 H VAL A 120 -0.150 -10.449 -1.969 1.00 0.00 H new ATOM 0 HA VAL A 120 -0.934 -7.857 -1.372 1.00 0.00 H new ATOM 0 HB VAL A 120 0.989 -8.938 -3.467 1.00 0.00 H new ATOM 0 HG11 VAL A 120 2.004 -6.695 -3.493 1.00 0.00 H new ATOM 0 HG12 VAL A 120 0.325 -6.672 -4.083 1.00 0.00 H new ATOM 0 HG13 VAL A 120 0.698 -6.098 -2.440 1.00 0.00 H new ATOM 0 HG21 VAL A 120 2.713 -8.343 -1.804 1.00 0.00 H new ATOM 0 HG22 VAL A 120 1.437 -7.826 -0.676 1.00 0.00 H new ATOM 0 HG23 VAL A 120 1.556 -9.533 -1.162 1.00 0.00 H new ATOM 1517 N GLN A 121 -1.778 -8.827 -4.415 1.00 0.00 N ATOM 1518 CA GLN A 121 -2.614 -8.512 -5.553 1.00 0.00 C ATOM 1519 C GLN A 121 -4.090 -8.436 -5.162 1.00 0.00 C ATOM 1520 O GLN A 121 -4.794 -7.500 -5.541 1.00 0.00 O ATOM 1521 CB GLN A 121 -2.410 -9.574 -6.629 1.00 0.00 C ATOM 1522 CG GLN A 121 -3.233 -9.326 -7.865 1.00 0.00 C ATOM 1523 CD GLN A 121 -3.016 -10.376 -8.938 1.00 0.00 C ATOM 1524 OE1 GLN A 121 -1.900 -10.561 -9.425 1.00 0.00 O ATOM 1525 NE2 GLN A 121 -4.084 -11.069 -9.311 1.00 0.00 N ATOM 0 H GLN A 121 -1.316 -9.734 -4.474 1.00 0.00 H new ATOM 0 HA GLN A 121 -2.326 -7.533 -5.935 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -1.355 -9.608 -6.902 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -2.665 -10.552 -6.220 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -4.289 -9.303 -7.594 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -2.986 -8.344 -8.269 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -4.989 -10.882 -8.880 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -4.000 -11.789 -10.029 1.00 0.00 H new ATOM 1534 N SER A 122 -4.550 -9.430 -4.409 1.00 0.00 N ATOM 1535 CA SER A 122 -5.943 -9.485 -3.973 1.00 0.00 C ATOM 1536 C SER A 122 -6.290 -8.316 -3.053 1.00 0.00 C ATOM 1537 O SER A 122 -7.374 -7.740 -3.151 1.00 0.00 O ATOM 1538 CB SER A 122 -6.221 -10.808 -3.257 1.00 0.00 C ATOM 1539 OG SER A 122 -5.981 -11.911 -4.113 1.00 0.00 O ATOM 0 H SER A 122 -3.978 -10.211 -4.087 1.00 0.00 H new ATOM 0 HA SER A 122 -6.570 -9.414 -4.862 1.00 0.00 H new ATOM 0 HB2 SER A 122 -5.589 -10.886 -2.372 1.00 0.00 H new ATOM 0 HB3 SER A 122 -7.255 -10.829 -2.913 1.00 0.00 H new ATOM 0 HG SER A 122 -5.017 -12.079 -4.168 1.00 0.00 H new ATOM 1545 N THR A 123 -5.369 -7.978 -2.157 1.00 0.00 N ATOM 1546 CA THR A 123 -5.582 -6.886 -1.212 1.00 0.00 C ATOM 1547 C THR A 123 -5.944 -5.591 -1.934 1.00 0.00 C ATOM 1548 O THR A 123 -6.826 -4.854 -1.494 1.00 0.00 O ATOM 1549 CB THR A 123 -4.335 -6.646 -0.339 1.00 0.00 C ATOM 1550 OG1 THR A 123 -4.002 -7.841 0.380 1.00 0.00 O ATOM 1551 CG2 THR A 123 -4.571 -5.510 0.645 1.00 0.00 C ATOM 0 H THR A 123 -4.467 -8.445 -2.065 1.00 0.00 H new ATOM 0 HA THR A 123 -6.412 -7.182 -0.571 1.00 0.00 H new ATOM 0 HB THR A 123 -3.509 -6.372 -0.995 1.00 0.00 H new ATOM 0 HG1 THR A 123 -3.432 -8.411 -0.178 1.00 0.00 H new ATOM 0 HG21 THR A 123 -3.676 -5.360 1.249 1.00 0.00 H new ATOM 0 HG22 THR A 123 -4.796 -4.595 0.097 1.00 0.00 H new ATOM 0 HG23 THR A 123 -5.410 -5.760 1.294 1.00 0.00 H new ATOM 1559 N LEU A 124 -5.261 -5.322 -3.043 1.00 0.00 N ATOM 1560 CA LEU A 124 -5.518 -4.115 -3.823 1.00 0.00 C ATOM 1561 C LEU A 124 -6.990 -4.028 -4.218 1.00 0.00 C ATOM 1562 O LEU A 124 -7.590 -2.954 -4.180 1.00 0.00 O ATOM 1563 CB LEU A 124 -4.637 -4.088 -5.076 1.00 0.00 C ATOM 1564 CG LEU A 124 -3.132 -3.988 -4.813 1.00 0.00 C ATOM 1565 CD1 LEU A 124 -2.358 -4.025 -6.122 1.00 0.00 C ATOM 1566 CD2 LEU A 124 -2.807 -2.721 -4.037 1.00 0.00 C ATOM 0 H LEU A 124 -4.527 -5.921 -3.421 1.00 0.00 H new ATOM 0 HA LEU A 124 -5.274 -3.253 -3.202 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -4.829 -4.991 -5.655 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -4.938 -3.243 -5.694 1.00 0.00 H new ATOM 0 HG LEU A 124 -2.832 -4.845 -4.211 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -1.290 -3.953 -5.915 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -2.565 -4.961 -6.641 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -2.664 -3.188 -6.749 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -1.733 -2.668 -3.860 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -3.123 -1.851 -4.612 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -3.332 -2.735 -3.082 1.00 0.00 H new ATOM 1578 N ILE A 125 -7.564 -5.166 -4.596 1.00 0.00 N ATOM 1579 CA ILE A 125 -8.965 -5.221 -4.996 1.00 0.00 C ATOM 1580 C ILE A 125 -9.878 -4.768 -3.860 1.00 0.00 C ATOM 1581 O ILE A 125 -10.812 -3.995 -4.071 1.00 0.00 O ATOM 1582 CB ILE A 125 -9.370 -6.643 -5.430 1.00 0.00 C ATOM 1583 CG1 ILE A 125 -8.494 -7.113 -6.595 1.00 0.00 C ATOM 1584 CG2 ILE A 125 -10.843 -6.683 -5.815 1.00 0.00 C ATOM 1585 CD1 ILE A 125 -8.783 -8.532 -7.038 1.00 0.00 C ATOM 0 H ILE A 125 -7.080 -6.063 -4.634 1.00 0.00 H new ATOM 0 HA ILE A 125 -9.080 -4.545 -5.843 1.00 0.00 H new ATOM 0 HB ILE A 125 -9.218 -7.320 -4.590 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -8.638 -6.441 -7.441 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -7.446 -7.039 -6.304 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -11.112 -7.695 -6.119 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -11.451 -6.387 -4.960 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -11.022 -5.996 -6.642 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -8.125 -8.796 -7.866 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -8.611 -9.215 -6.206 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -9.821 -8.608 -7.361 1.00 0.00 H new ATOM 1597 N ALA A 126 -9.602 -5.257 -2.654 1.00 0.00 N ATOM 1598 CA ALA A 126 -10.397 -4.907 -1.484 1.00 0.00 C ATOM 1599 C ALA A 126 -10.319 -3.412 -1.189 1.00 0.00 C ATOM 1600 O ALA A 126 -11.335 -2.768 -0.923 1.00 0.00 O ATOM 1601 CB ALA A 126 -9.937 -5.709 -0.276 1.00 0.00 C ATOM 0 H ALA A 126 -8.832 -5.898 -2.463 1.00 0.00 H new ATOM 0 HA ALA A 126 -11.437 -5.153 -1.698 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -10.539 -5.438 0.591 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -10.053 -6.773 -0.480 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -8.889 -5.491 -0.072 1.00 0.00 H new ATOM 1607 N LEU A 127 -9.107 -2.867 -1.236 1.00 0.00 N ATOM 1608 CA LEU A 127 -8.894 -1.447 -0.974 1.00 0.00 C ATOM 1609 C LEU A 127 -9.682 -0.587 -1.957 1.00 0.00 C ATOM 1610 O LEU A 127 -10.287 0.415 -1.576 1.00 0.00 O ATOM 1611 CB LEU A 127 -7.404 -1.108 -1.063 1.00 0.00 C ATOM 1612 CG LEU A 127 -7.051 0.356 -0.783 1.00 0.00 C ATOM 1613 CD1 LEU A 127 -7.497 0.754 0.616 1.00 0.00 C ATOM 1614 CD2 LEU A 127 -5.558 0.585 -0.954 1.00 0.00 C ATOM 0 H LEU A 127 -8.257 -3.387 -1.453 1.00 0.00 H new ATOM 0 HA LEU A 127 -9.249 -1.233 0.034 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -6.862 -1.737 -0.357 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -7.048 -1.367 -2.060 1.00 0.00 H new ATOM 0 HG LEU A 127 -7.579 0.982 -1.502 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -7.238 1.797 0.797 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -8.576 0.627 0.704 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -6.997 0.123 1.351 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -5.325 1.630 -0.751 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -5.010 -0.051 -0.258 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -5.267 0.340 -1.975 1.00 0.00 H new ATOM 1626 N ALA A 128 -9.668 -0.989 -3.224 1.00 0.00 N ATOM 1627 CA ALA A 128 -10.379 -0.262 -4.268 1.00 0.00 C ATOM 1628 C ALA A 128 -11.880 -0.267 -4.007 1.00 0.00 C ATOM 1629 O ALA A 128 -12.555 0.747 -4.179 1.00 0.00 O ATOM 1630 CB ALA A 128 -10.075 -0.865 -5.631 1.00 0.00 C ATOM 0 H ALA A 128 -9.170 -1.817 -3.552 1.00 0.00 H new ATOM 0 HA ALA A 128 -10.036 0.773 -4.258 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -10.613 -0.312 -6.401 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -9.004 -0.807 -5.824 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -10.391 -1.908 -5.646 1.00 0.00 H new ATOM 1636 N SER A 129 -12.393 -1.420 -3.591 1.00 0.00 N ATOM 1637 CA SER A 129 -13.815 -1.569 -3.303 1.00 0.00 C ATOM 1638 C SER A 129 -14.266 -0.555 -2.257 1.00 0.00 C ATOM 1639 O SER A 129 -15.359 0.004 -2.353 1.00 0.00 O ATOM 1640 CB SER A 129 -14.113 -2.988 -2.816 1.00 0.00 C ATOM 1641 OG SER A 129 -13.750 -3.949 -3.792 1.00 0.00 O ATOM 0 H SER A 129 -11.844 -2.267 -3.445 1.00 0.00 H new ATOM 0 HA SER A 129 -14.368 -1.386 -4.224 1.00 0.00 H new ATOM 0 HB2 SER A 129 -13.568 -3.180 -1.892 1.00 0.00 H new ATOM 0 HB3 SER A 129 -15.174 -3.082 -2.586 1.00 0.00 H new ATOM 0 HG SER A 129 -12.774 -3.977 -3.877 1.00 0.00 H new ATOM 1647 N GLN A 130 -13.421 -0.323 -1.256 1.00 0.00 N ATOM 1648 CA GLN A 130 -13.732 0.616 -0.197 1.00 0.00 C ATOM 1649 C GLN A 130 -13.874 2.034 -0.734 1.00 0.00 C ATOM 1650 O GLN A 130 -14.858 2.713 -0.460 1.00 0.00 O ATOM 1651 CB GLN A 130 -12.639 0.575 0.858 1.00 0.00 C ATOM 1652 CG GLN A 130 -12.562 -0.737 1.624 1.00 0.00 C ATOM 1653 CD GLN A 130 -13.867 -1.101 2.308 1.00 0.00 C ATOM 1654 OE1 GLN A 130 -14.888 -1.315 1.656 1.00 0.00 O ATOM 1655 NE2 GLN A 130 -13.839 -1.170 3.633 1.00 0.00 N ATOM 0 H GLN A 130 -12.513 -0.778 -1.161 1.00 0.00 H new ATOM 0 HA GLN A 130 -14.685 0.325 0.244 1.00 0.00 H new ATOM 0 HB2 GLN A 130 -11.678 0.759 0.377 1.00 0.00 H new ATOM 0 HB3 GLN A 130 -12.802 1.387 1.566 1.00 0.00 H new ATOM 0 HG2 GLN A 130 -12.282 -1.536 0.938 1.00 0.00 H new ATOM 0 HG3 GLN A 130 -11.772 -0.669 2.372 1.00 0.00 H new ATOM 0 HE21 GLN A 130 -12.971 -0.985 4.135 1.00 0.00 H new ATOM 0 HE22 GLN A 130 -14.686 -1.408 4.149 1.00 0.00 H new ATOM 1664 N ALA A 131 -12.880 2.475 -1.492 1.00 0.00 N ATOM 1665 CA ALA A 131 -12.884 3.818 -2.061 1.00 0.00 C ATOM 1666 C ALA A 131 -14.200 4.128 -2.773 1.00 0.00 C ATOM 1667 O ALA A 131 -14.667 5.268 -2.761 1.00 0.00 O ATOM 1668 CB ALA A 131 -11.710 3.980 -3.012 1.00 0.00 C ATOM 0 H ALA A 131 -12.057 1.921 -1.729 1.00 0.00 H new ATOM 0 HA ALA A 131 -12.784 4.531 -1.243 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -11.719 4.985 -3.433 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -10.778 3.822 -2.469 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -11.790 3.249 -3.816 1.00 0.00 H new ATOM 1674 N LYS A 132 -14.789 3.114 -3.400 1.00 0.00 N ATOM 1675 CA LYS A 132 -16.045 3.288 -4.126 1.00 0.00 C ATOM 1676 C LYS A 132 -17.201 3.594 -3.178 1.00 0.00 C ATOM 1677 O LYS A 132 -17.867 4.623 -3.302 1.00 0.00 O ATOM 1678 CB LYS A 132 -16.368 2.022 -4.923 1.00 0.00 C ATOM 1679 CG LYS A 132 -15.182 1.463 -5.690 1.00 0.00 C ATOM 1680 CD LYS A 132 -14.626 2.471 -6.683 1.00 0.00 C ATOM 1681 CE LYS A 132 -13.444 1.902 -7.452 1.00 0.00 C ATOM 1682 NZ LYS A 132 -12.891 2.882 -8.427 1.00 0.00 N ATOM 0 H LYS A 132 -14.418 2.164 -3.421 1.00 0.00 H new ATOM 0 HA LYS A 132 -15.921 4.133 -4.803 1.00 0.00 H new ATOM 0 HB2 LYS A 132 -16.740 1.258 -4.240 1.00 0.00 H new ATOM 0 HB3 LYS A 132 -17.173 2.241 -5.625 1.00 0.00 H new ATOM 0 HG2 LYS A 132 -14.399 1.174 -4.989 1.00 0.00 H new ATOM 0 HG3 LYS A 132 -15.485 0.560 -6.220 1.00 0.00 H new ATOM 0 HD2 LYS A 132 -15.409 2.764 -7.382 1.00 0.00 H new ATOM 0 HD3 LYS A 132 -14.317 3.372 -6.154 1.00 0.00 H new ATOM 0 HE2 LYS A 132 -12.663 1.607 -6.751 1.00 0.00 H new ATOM 0 HE3 LYS A 132 -13.755 1.001 -7.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 -12.087 2.455 -8.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 -13.628 3.144 -9.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 -12.571 3.732 -7.921 1.00 0.00 H new ATOM 1696 N THR A 133 -17.441 2.682 -2.242 1.00 0.00 N ATOM 1697 CA THR A 133 -18.526 2.828 -1.275 1.00 0.00 C ATOM 1698 C THR A 133 -18.279 3.980 -0.302 1.00 0.00 C ATOM 1699 O THR A 133 -19.151 4.825 -0.097 1.00 0.00 O ATOM 1700 CB THR A 133 -18.734 1.526 -0.479 1.00 0.00 C ATOM 1701 OG1 THR A 133 -19.651 1.748 0.600 1.00 0.00 O ATOM 1702 CG2 THR A 133 -17.411 1.003 0.065 1.00 0.00 C ATOM 0 H THR A 133 -16.895 1.828 -2.131 1.00 0.00 H new ATOM 0 HA THR A 133 -19.425 3.052 -1.849 1.00 0.00 H new ATOM 0 HB THR A 133 -19.149 0.778 -1.155 1.00 0.00 H new ATOM 0 HG1 THR A 133 -19.777 0.914 1.099 1.00 0.00 H new ATOM 0 HG21 THR A 133 -17.585 0.083 0.623 1.00 0.00 H new ATOM 0 HG22 THR A 133 -16.731 0.802 -0.763 1.00 0.00 H new ATOM 0 HG23 THR A 133 -16.968 1.749 0.725 1.00 0.00 H new ATOM 1710 N LYS A 134 -17.095 4.005 0.298 1.00 0.00 N ATOM 1711 CA LYS A 134 -16.737 5.048 1.255 1.00 0.00 C ATOM 1712 C LYS A 134 -16.929 6.434 0.646 1.00 0.00 C ATOM 1713 O LYS A 134 -16.634 6.598 -0.557 1.00 0.00 O ATOM 1714 CB LYS A 134 -15.286 4.879 1.707 1.00 0.00 C ATOM 1715 CG LYS A 134 -14.985 3.519 2.322 1.00 0.00 C ATOM 1716 CD LYS A 134 -15.746 3.297 3.614 1.00 0.00 C ATOM 1717 CE LYS A 134 -15.480 1.911 4.170 1.00 0.00 C ATOM 1718 NZ LYS A 134 -15.978 0.842 3.261 1.00 0.00 N ATOM 1719 OXT LYS A 134 -17.373 7.345 1.377 1.00 0.00 O ATOM 0 H LYS A 134 -16.363 3.313 0.139 1.00 0.00 H new ATOM 0 HA LYS A 134 -17.395 4.953 2.119 1.00 0.00 H new ATOM 0 HB2 LYS A 134 -14.629 5.033 0.851 1.00 0.00 H new ATOM 0 HB3 LYS A 134 -15.050 5.656 2.434 1.00 0.00 H new ATOM 0 HG2 LYS A 134 -15.243 2.735 1.610 1.00 0.00 H new ATOM 0 HG3 LYS A 134 -13.915 3.437 2.513 1.00 0.00 H new ATOM 0 HD2 LYS A 134 -15.453 4.049 4.347 1.00 0.00 H new ATOM 0 HD3 LYS A 134 -16.814 3.423 3.437 1.00 0.00 H new ATOM 0 HE2 LYS A 134 -14.409 1.783 4.328 1.00 0.00 H new ATOM 0 HE3 LYS A 134 -15.960 1.812 5.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 -15.964 -0.071 3.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 -16.951 1.062 2.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 -15.367 0.788 2.421 1.00 0.00 H new TER 1733 LYS A 134